data_1-crs_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           WAQQUB
_cell_length_a                      12.34618
_cell_length_b                      12.34618
_cell_length_c                      12.34618
_cell_angle_alpha                   60
_cell_angle_beta                    60
_cell_angle_gamma                   60
_cell_volume                        1330.708
_cell_formula_units_Z               6
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.50270 0.50270 0.74730 1.0000
N2 N 1 0.50270 0.74730 0.50270 1.0000
N3 N 1 0.74730 0.50270 0.50270 1.0000
N4 N 1 0.25270 0.25270 0.49730 1.0000
N5 N 1 0.50270 0.74730 0.74730 1.0000
N6 N 1 0.74730 0.50270 0.74730 1.0000
N7 N 1 0.49730 0.49730 0.25270 1.0000
N8 N 1 0.74730 0.74730 0.50270 1.0000
N9 N 1 0.25270 0.49730 0.49730 1.0000
N10 N 1 0.49730 0.25270 0.25270 1.0000
N11 N 1 0.49730 0.25270 0.49730 1.0000
N12 N 1 0.25270 0.49730 0.25270 1.0000
N13 N 1 0.45843 0.45843 0.87683 1.0000
N14 N 1 0.45843 0.70631 0.45843 1.0000
N15 N 1 0.70631 0.45843 0.45843 1.0000
N16 N 1 0.29369 0.12317 0.54157 1.0000
N17 N 1 0.45843 0.70631 0.87683 1.0000
N18 N 1 0.87683 0.45843 0.70631 1.0000
N19 N 1 0.54157 0.54157 0.12317 1.0000
N20 N 1 0.12317 0.29369 0.54157 1.0000
N21 N 1 0.87683 0.70631 0.45843 1.0000
N22 N 1 0.29369 0.54157 0.54157 1.0000
N23 N 1 0.54157 0.29369 0.12317 1.0000
N24 N 1 0.54157 0.12317 0.54157 1.0000
N25 N 1 0.29369 0.54157 0.12317 1.0000
N26 N 1 0.45843 0.87683 0.45843 1.0000
N27 N 1 0.70631 0.87683 0.45843 1.0000
N28 N 1 0.45843 0.87683 0.70631 1.0000
N29 N 1 0.87683 0.45843 0.45843 1.0000
N30 N 1 0.45843 0.45843 0.70631 1.0000
N31 N 1 0.54157 0.54157 0.29369 1.0000
N32 N 1 0.70631 0.45843 0.87683 1.0000
N33 N 1 0.12317 0.54157 0.29369 1.0000
N34 N 1 0.12317 0.54157 0.54157 1.0000
N35 N 1 0.54157 0.29369 0.54157 1.0000
N36 N 1 0.54157 0.12317 0.29369 1.0000
N37 N 1 0.38672 0.38672 0.91620 1.0000
N38 N 1 0.38672 0.81036 0.38672 1.0000
N39 N 1 0.81036 0.38672 0.38672 1.0000
N40 N 1 0.18964 0.08380 0.61328 1.0000
N41 N 1 0.38672 0.81036 0.91620 1.0000
N42 N 1 0.91620 0.38672 0.81036 1.0000
N43 N 1 0.61328 0.61328 0.08380 1.0000
N44 N 1 0.08380 0.18964 0.61328 1.0000
N45 N 1 0.91620 0.81036 0.38672 1.0000
N46 N 1 0.18964 0.61328 0.61328 1.0000
N47 N 1 0.61328 0.18964 0.08380 1.0000
N48 N 1 0.61328 0.08380 0.61328 1.0000
N49 N 1 0.18964 0.61328 0.08380 1.0000
N50 N 1 0.38672 0.91620 0.38672 1.0000
N51 N 1 0.81036 0.91620 0.38672 1.0000
N52 N 1 0.38672 0.91620 0.81036 1.0000
N53 N 1 0.91620 0.38672 0.38672 1.0000
N54 N 1 0.38672 0.38672 0.81036 1.0000
N55 N 1 0.61328 0.61328 0.18964 1.0000
N56 N 1 0.81036 0.38672 0.91620 1.0000
N57 N 1 0.08380 0.61328 0.18964 1.0000
N58 N 1 0.08380 0.61328 0.61328 1.0000
N59 N 1 0.61328 0.18964 0.61328 1.0000
N60 N 1 0.61328 0.08380 0.18964 1.0000
Zn1 Zn 1 0.62500 0.62500 0.62500 1.0000
Zn2 Zn 1 0.37500 0.37500 0.37500 1.0000
Zn3 Zn 1 0.50000 0.50000 0.00000 1.0000
Zn4 Zn 1 0.50000 0.50000 0.50000 1.0000
Zn5 Zn 1 0.50000 0.00000 0.50000 1.0000
Zn6 Zn 1 0.00000 0.50000 0.50000 1.0000
#End 

data_2-crs2_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           CAYBAH
_cell_length_a                      12.31533
_cell_length_b                      12.31533
_cell_length_c                      12.36988
_cell_angle_alpha                   60.14577
_cell_angle_beta                    60.14577
_cell_angle_gamma                   90
_cell_volume                        1332.432
_cell_formula_units_Z               6
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.75362 0.50362 0.49276 1.0000
N2 N 1 0.99638 0.74638 0.00724 1.0000
N3 N 1 0.00362 0.25362 0.99276 1.0000
N4 N 1 0.24638 0.49638 0.50724 1.0000
N5 N 1 0.75220 0.74780 0.25000 1.0000
N6 N 1 0.75220 0.50220 0.25000 1.0000
N7 N 1 0.00220 0.49780 0.75000 1.0000
N8 N 1 0.00220 0.25220 0.75000 1.0000
N9 N 1 0.24780 0.49780 0.75000 1.0000
N10 N 1 0.99780 0.74780 0.25000 1.0000
N11 N 1 0.99780 0.50220 0.25000 1.0000
N12 N 1 0.24780 0.25220 0.75000 1.0000
N13 N 1 0.62423 0.45963 0.58074 1.0000
N14 N 1 0.04037 0.70497 0.91926 1.0000
N15 N 1 0.95963 0.29503 0.08074 1.0000
N16 N 1 0.20497 0.54037 0.41926 1.0000
N17 N 1 0.37577 0.54037 0.41926 1.0000
N18 N 1 0.95963 0.12423 0.08074 1.0000
N19 N 1 0.04037 0.87577 0.91926 1.0000
N20 N 1 0.79503 0.45963 0.58074 1.0000
N21 N 1 0.62272 0.70703 0.33533 1.0000
N22 N 1 0.62272 0.45764 0.33533 1.0000
N23 N 1 0.79297 0.45805 0.16467 1.0000
N24 N 1 0.95764 0.54195 0.83533 1.0000
N25 N 1 0.95805 0.29297 0.66467 1.0000
N26 N 1 0.37728 0.54236 0.66467 1.0000
N27 N 1 0.95764 0.12272 0.83533 1.0000
N28 N 1 0.79297 0.87728 0.16467 1.0000
N29 N 1 0.04236 0.87728 0.16467 1.0000
N30 N 1 0.95805 0.54236 0.66467 1.0000
N31 N 1 0.04195 0.45764 0.33533 1.0000
N32 N 1 0.37728 0.29297 0.66467 1.0000
N33 N 1 0.20703 0.54195 0.83533 1.0000
N34 N 1 0.04195 0.70703 0.33533 1.0000
N35 N 1 0.04236 0.45805 0.16467 1.0000
N36 N 1 0.20703 0.12272 0.83533 1.0000
N37 N 1 0.58535 0.38838 0.72323 1.0000
N38 N 1 0.11162 0.80858 0.77677 1.0000
N39 N 1 0.88838 0.19142 0.22323 1.0000
N40 N 1 0.30858 0.61162 0.27677 1.0000
N41 N 1 0.41465 0.61162 0.27677 1.0000
N42 N 1 0.88838 0.08535 0.22323 1.0000
N43 N 1 0.11162 0.91465 0.77677 1.0000
N44 N 1 0.69142 0.38838 0.72323 1.0000
N45 N 1 0.58314 0.81123 0.30292 1.0000
N46 N 1 0.58314 0.38585 0.30292 1.0000
N47 N 1 0.68877 0.38606 0.19708 1.0000
N48 N 1 0.88585 0.61394 0.80292 1.0000
N49 N 1 0.88606 0.18877 0.69708 1.0000
N50 N 1 0.41686 0.61415 0.69708 1.0000
N51 N 1 0.88585 0.08314 0.80292 1.0000
N52 N 1 0.68877 0.91686 0.19708 1.0000
N53 N 1 0.11415 0.91686 0.19708 1.0000
N54 N 1 0.88606 0.61415 0.69708 1.0000
N55 N 1 0.11394 0.38585 0.30292 1.0000
N56 N 1 0.41686 0.18877 0.69708 1.0000
N57 N 1 0.31123 0.61394 0.80292 1.0000
N58 N 1 0.11394 0.81123 0.30292 1.0000
N59 N 1 0.11415 0.38606 0.19708 1.0000
N60 N 1 0.31123 0.08314 0.80292 1.0000
Zn1 Zn 1 0.87500 0.62500 0.25000 1.0000
Zn2 Zn 1 0.12500 0.37500 0.75000 1.0000
Zn3 Zn 1 0.50000 0.50000 0.50000 1.0000
Zn4 Zn 1 0.00000 0.50000 0.00000 1.0000
Zn5 Zn 1 0.00000 0.50000 0.50000 1.0000
Zn6 Zn 1 0.00000 0.00000 0.00000 1.0000
#End 

data_3-dia_Inter1_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           LIHQUP
_cell_length_a                      9.571742
_cell_length_b                      9.067689
_cell_length_c                      14.23642
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        1235.63
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P b c a'
_symmetry_Int_Tables_number         61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-z
5 -x,-y,-z
6 1/2+x,y,1/2-z
7 1/2-x,1/2+y,z
8 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 8 0.04711 0.05083 0.67765 1.0000
N2 N 8 0.15065 0.85291 0.71182 1.0000
N3 N 8 0.04669 0.87729 0.77221 1.0000
N4 N 8 0.12502 0.29704 0.51831 1.0000
N5 N 8 0.10728 0.39997 0.45270 1.0000
N6 N 8 0.30321 0.29700 0.43562 1.0000
N7 N 8 0.98250 0.99928 0.75131 1.0000
N8 N 8 0.15049 0.96070 0.65292 1.0000
N9 N 8 0.24607 0.23275 0.50755 1.0000
N10 N 8 0.21788 0.40005 0.40143 1.0000
Zn1 Zn 8 0.99236 0.24413 0.61991 1.0000
#End 

data_4-dia_Inter2_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           WAQRAI
_cell_length_a                      9.783242
_cell_length_b                      9.058628
_cell_length_c                      13.72628
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        1216.461
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P b c a'
_symmetry_Int_Tables_number         61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-z
5 -x,-y,-z
6 1/2+x,y,1/2-z
7 1/2-x,1/2+y,z
8 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 8 0.95157 0.35132 0.26969 1.0000
N2 N 8 0.76613 0.20124 0.43094 1.0000
N3 N 8 0.71478 0.27245 0.50457 1.0000
N4 N 8 0.03195 0.46150 0.24912 1.0000
N5 N 8 0.85176 0.34140 0.20407 1.0000
N6 N 8 0.87012 0.44624 0.14220 1.0000
N7 N 8 0.98113 0.52028 0.17027 1.0000
N8 N 8 0.58844 0.22716 0.51123 1.0000
N9 N 8 0.56187 0.12887 0.44159 1.0000
N10 N 8 0.67223 0.11265 0.39169 1.0000
Zn1 Zn 8 0.95819 0.21515 0.38403 1.0000
#End 

data_5-zni_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           IMIDZB01
_cell_length_a                      21.53028
_cell_length_b                      21.53028
_cell_length_c                      16.48898
_cell_angle_alpha                   49.24176
_cell_angle_beta                    49.24176
_cell_angle_gamma                   90
_cell_volume                        2935.795
_cell_formula_units_Z               16
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.32654 0.01575 0.04943 1.0000
N2 N 1 0.76575 0.87403 0.54943 1.0000
N3 N 1 0.18482 0.37403 0.54943 1.0000
N4 N 1 0.82654 0.43482 0.04943 1.0000
N5 N 1 0.12403 0.51575 0.04943 1.0000
N6 N 1 0.62403 0.93482 0.04943 1.0000
N7 N 1 0.68482 0.57654 0.54943 1.0000
N8 N 1 0.26575 0.07654 0.54943 1.0000
N9 N 1 0.36910 0.94072 0.01454 1.0000
N10 N 1 0.69072 0.86635 0.51454 1.0000
N11 N 1 0.29473 0.36635 0.51454 1.0000
N12 N 1 0.86910 0.54473 0.01454 1.0000
N13 N 1 0.11635 0.44072 0.01454 1.0000
N14 N 1 0.61635 0.04473 0.01454 1.0000
N15 N 1 0.79473 0.61910 0.51454 1.0000
N16 N 1 0.19072 0.11910 0.51454 1.0000
N17 N 1 0.41161 0.04478 0.90835 1.0000
N18 N 1 0.79478 0.93003 0.40835 1.0000
N19 N 1 0.29687 0.43003 0.40835 1.0000
N20 N 1 0.91161 0.54687 0.90835 1.0000
N21 N 1 0.18003 0.54478 0.90835 1.0000
N22 N 1 0.68003 0.04687 0.90835 1.0000
N23 N 1 0.79687 0.66161 0.40835 1.0000
N24 N 1 0.29478 0.16161 0.40835 1.0000
N25 N 1 0.25828 0.84785 0.22047 1.0000
N26 N 1 0.59785 0.77125 0.72047 1.0000
N27 N 1 0.18169 0.27125 0.72047 1.0000
N28 N 1 0.75828 0.43169 0.22047 1.0000
N29 N 1 0.02125 0.34785 0.22047 1.0000
N30 N 1 0.52125 0.93169 0.22047 1.0000
N31 N 1 0.68169 0.50828 0.72047 1.0000
N32 N 1 0.09785 0.00828 0.72047 1.0000
N33 N 1 0.23191 0.89445 0.24201 1.0000
N34 N 1 0.64445 0.77608 0.74201 1.0000
N35 N 1 0.11354 0.27608 0.74201 1.0000
N36 N 1 0.73191 0.36354 0.24201 1.0000
N37 N 1 0.02608 0.39445 0.24201 1.0000
N38 N 1 0.52608 0.86354 0.24201 1.0000
N39 N 1 0.61354 0.48191 0.74201 1.0000
N40 N 1 0.14445 0.98191 0.74201 1.0000
N41 N 1 0.17237 0.99957 0.30998 1.0000
N42 N 1 0.74957 0.76765 0.80998 1.0000
N43 N 1 0.94045 0.26765 0.80998 1.0000
N44 N 1 0.67237 0.19045 0.30998 1.0000
N45 N 1 0.01765 0.49957 0.30998 1.0000
N46 N 1 0.51765 0.69045 0.30998 1.0000
N47 N 1 0.44045 0.42237 0.80998 1.0000
N48 N 1 0.24957 0.92237 0.80998 1.0000
N49 N 1 0.03540 0.83561 0.62803 1.0000
N50 N 1 0.58561 0.58657 0.12803 1.0000
N51 N 1 0.78636 0.08657 0.12803 1.0000
N52 N 1 0.53540 0.03636 0.62803 1.0000
N53 N 1 0.83657 0.33561 0.62803 1.0000
N54 N 1 0.33657 0.53636 0.62803 1.0000
N55 N 1 0.28636 0.28540 0.12803 1.0000
N56 N 1 0.08561 0.78540 0.12803 1.0000
N57 N 1 0.15386 0.92936 0.44004 1.0000
N58 N 1 0.67936 0.65610 0.94004 1.0000
N59 N 1 0.88060 0.15610 0.94004 1.0000
N60 N 1 0.65386 0.13060 0.44004 1.0000
N61 N 1 0.90610 0.42936 0.44004 1.0000
N62 N 1 0.40610 0.63060 0.44004 1.0000
N63 N 1 0.38060 0.40386 0.94004 1.0000
N64 N 1 0.17936 0.90386 0.94004 1.0000
N65 N 1 0.98064 0.84741 0.61488 1.0000
N66 N 1 0.59741 0.65448 0.11488 1.0000
N67 N 1 0.78771 0.15448 0.11488 1.0000
N68 N 1 0.48064 0.03771 0.61488 1.0000
N69 N 1 0.90448 0.34741 0.61488 1.0000
N70 N 1 0.40448 0.53771 0.61488 1.0000
N71 N 1 0.28771 0.23064 0.11488 1.0000
N72 N 1 0.09741 0.73064 0.11488 1.0000
N73 N 1 0.34313 0.23164 0.83844 1.0000
N74 N 1 0.98164 0.06843 0.33844 1.0000
N75 N 1 0.17992 0.56843 0.33844 1.0000
N76 N 1 0.84313 0.42992 0.83844 1.0000
N77 N 1 0.31843 0.73164 0.83844 1.0000
N78 N 1 0.81843 0.92992 0.83844 1.0000
N79 N 1 0.67992 0.59313 0.33844 1.0000
N80 N 1 0.48164 0.09313 0.33844 1.0000
N81 N 1 0.38065 0.32973 0.62135 1.0000
N82 N 1 0.07973 0.24800 0.12135 1.0000
N83 N 1 0.29892 0.74800 0.12135 1.0000
N84 N 1 0.88065 0.54892 0.62135 1.0000
N85 N 1 0.49800 0.82973 0.62135 1.0000
N86 N 1 0.99800 0.04892 0.62135 1.0000
N87 N 1 0.79892 0.63065 0.12135 1.0000
N88 N 1 0.57973 0.13065 0.12135 1.0000
N89 N 1 0.06571 0.94919 0.41732 1.0000
N90 N 1 0.69919 0.76697 0.91732 1.0000
N91 N 1 0.88348 0.26697 0.91732 1.0000
N92 N 1 0.56571 0.13348 0.41732 1.0000
N93 N 1 0.01697 0.44919 0.41732 1.0000
N94 N 1 0.51697 0.63348 0.41732 1.0000
N95 N 1 0.38348 0.31571 0.91732 1.0000
N96 N 1 0.19919 0.81571 0.91732 1.0000
N97 N 1 0.39870 0.27106 0.68766 1.0000
N98 N 1 0.02106 0.16364 0.18766 1.0000
N99 N 1 0.29128 0.66364 0.18766 1.0000
N100 N 1 0.89870 0.54128 0.68766 1.0000
N101 N 1 0.41364 0.77106 0.68766 1.0000
N102 N 1 0.91364 0.04128 0.68766 1.0000
N103 N 1 0.79128 0.64870 0.18766 1.0000
N104 N 1 0.52106 0.14870 0.18766 1.0000
N105 N 1 0.29051 0.26527 0.86606 1.0000
N106 N 1 0.01527 0.09343 0.36606 1.0000
N107 N 1 0.11867 0.59343 0.36606 1.0000
N108 N 1 0.79051 0.36867 0.86606 1.0000
N109 N 1 0.34343 0.76527 0.86606 1.0000
N110 N 1 0.84343 0.86867 0.86606 1.0000
N111 N 1 0.61867 0.54051 0.36606 1.0000
N112 N 1 0.51527 0.04051 0.36606 1.0000
N113 N 1 0.59521 0.23183 0.84252 1.0000
N114 N 1 0.98183 0.81227 0.34252 1.0000
N115 N 1 0.17564 0.31227 0.34252 1.0000
N116 N 1 0.09521 0.42564 0.84252 1.0000
N117 N 1 0.06227 0.73183 0.84252 1.0000
N118 N 1 0.56227 0.92564 0.84252 1.0000
N119 N 1 0.67564 0.84521 0.34252 1.0000
N120 N 1 0.48183 0.34521 0.34252 1.0000
N121 N 1 0.48251 0.21572 0.87613 1.0000
N122 N 1 0.96572 0.89137 0.37613 1.0000
N123 N 1 0.15815 0.39137 0.37613 1.0000
N124 N 1 0.98251 0.40815 0.87613 1.0000
N125 N 1 0.14137 0.71572 0.87613 1.0000
N126 N 1 0.64137 0.90815 0.87613 1.0000
N127 N 1 0.65815 0.73251 0.37613 1.0000
N128 N 1 0.46572 0.23251 0.37613 1.0000
N129 N 1 0.31409 0.32651 0.73074 1.0000
N130 N 1 0.07651 0.20517 0.23074 1.0000
N131 N 1 0.19275 0.70517 0.23074 1.0000
N132 N 1 0.81409 0.44275 0.73074 1.0000
N133 N 1 0.45517 0.82651 0.73074 1.0000
N134 N 1 0.95517 0.94275 0.73074 1.0000
N135 N 1 0.69275 0.56409 0.23074 1.0000
N136 N 1 0.57651 0.06409 0.23074 1.0000
N137 N 1 0.49228 0.15226 0.95811 1.0000
N138 N 1 0.90226 0.79962 0.45811 1.0000
N139 N 1 0.13963 0.29962 0.45811 1.0000
N140 N 1 0.99228 0.38963 0.95811 1.0000
N141 N 1 0.04962 0.65226 0.95811 1.0000
N142 N 1 0.54962 0.88963 0.95811 1.0000
N143 N 1 0.63963 0.74228 0.45811 1.0000
N144 N 1 0.40226 0.24228 0.45811 1.0000
N145 N 1 0.57940 0.33429 0.70960 1.0000
N146 N 1 0.08429 0.96100 0.20960 1.0000
N147 N 1 0.20611 0.46100 0.20960 1.0000
N148 N 1 0.07940 0.45611 0.70960 1.0000
N149 N 1 0.21100 0.83429 0.70960 1.0000
N150 N 1 0.71100 0.95611 0.70960 1.0000
N151 N 1 0.70611 0.82940 0.20960 1.0000
N152 N 1 0.58429 0.32940 0.20960 1.0000
N153 N 1 0.64931 0.34435 0.68883 1.0000
N154 N 1 0.09435 0.91186 0.18883 1.0000
N155 N 1 0.21681 0.41186 0.18883 1.0000
N156 N 1 0.14931 0.46681 0.68883 1.0000
N157 N 1 0.16186 0.84435 0.68883 1.0000
N158 N 1 0.66186 0.96681 0.68883 1.0000
N159 N 1 0.71681 0.89931 0.18883 1.0000
N160 N 1 0.59435 0.39931 0.18883 1.0000
Zn1 Zn 1 0.33584 0.13157 0.00386 1.0000
Zn2 Zn 1 0.88157 0.91030 0.50386 1.0000
Zn3 Zn 1 0.11457 0.41030 0.50386 1.0000
Zn4 Zn 1 0.83584 0.36457 0.00386 1.0000
Zn5 Zn 1 0.16030 0.63157 0.00386 1.0000
Zn6 Zn 1 0.66030 0.86457 0.00386 1.0000
Zn7 Zn 1 0.61457 0.58584 0.50386 1.0000
Zn8 Zn 1 0.38157 0.08584 0.50386 1.0000
Zn9 Zn 1 0.44521 0.91477 0.89758 1.0000
Zn10 Zn 1 0.66477 0.90721 0.39758 1.0000
Zn11 Zn 1 0.43765 0.40721 0.39758 1.0000
Zn12 Zn 1 0.94521 0.68765 0.89758 1.0000
Zn13 Zn 1 0.15721 0.41477 0.89758 1.0000
Zn14 Zn 1 0.65721 0.18765 0.89758 1.0000
Zn15 Zn 1 0.93765 0.69521 0.39758 1.0000
Zn16 Zn 1 0.16477 0.19521 0.39758 1.0000
#End 

data_6-coi_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           IMIDZB07
_cell_length_a                      21.17089
_cell_length_b                      21.17089
_cell_length_c                      16.36057
_cell_angle_alpha                   49.6835
_cell_angle_beta                    49.6835
_cell_angle_gamma                   90
_cell_volume                        2958.337
_cell_formula_units_Z               16
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.70359 0.10388 0.53409 1.0000
N2 N 1 0.85388 0.01232 0.03409 1.0000
N3 N 1 0.76232 0.36203 0.53409 1.0000
N4 N 1 0.11203 0.95359 0.03409 1.0000
N5 N 1 0.36491 0.59967 0.80812 1.0000
N6 N 1 0.34967 0.07696 0.30812 1.0000
N7 N 1 0.82696 0.59220 0.80812 1.0000
N8 N 1 0.34220 0.61491 0.30812 1.0000
N9 N 1 0.85823 0.22801 0.22264 1.0000
N10 N 1 0.97800 0.16912 0.72264 1.0000
N11 N 1 0.91912 0.54935 0.22264 1.0000
N12 N 1 0.29935 0.10823 0.72264 1.0000
N13 N 1 0.43560 0.54277 0.85804 1.0000
N14 N 1 0.29277 0.95636 0.35804 1.0000
N15 N 1 0.70636 0.59919 0.85804 1.0000
N16 N 1 0.34919 0.68560 0.35804 1.0000
N17 N 1 0.77506 0.21384 0.27396 1.0000
N18 N 1 0.96384 0.20099 0.77396 1.0000
N19 N 1 0.95099 0.51220 0.27396 1.0000
N20 N 1 0.26220 0.02506 0.77396 1.0000
N21 N 1 0.44792 0.53990 0.77264 1.0000
N22 N 1 0.28990 0.02945 0.27264 1.0000
N23 N 1 0.77945 0.68747 0.77264 1.0000
N24 N 1 0.43747 0.69792 0.27264 1.0000
N25 N 1 0.89315 0.23935 0.47805 1.0000
N26 N 1 0.98935 0.87880 0.97805 1.0000
N27 N 1 0.62880 0.28259 0.47805 1.0000
N28 N 1 0.03259 0.14315 0.97805 1.0000
N29 N 1 0.39990 0.77475 0.49476 1.0000
N30 N 1 0.52475 0.35534 0.99476 1.0000
N31 N 1 0.10534 0.73049 0.49476 1.0000
N32 N 1 0.48049 0.64990 0.99476 1.0000
N33 N 1 0.80018 0.05571 0.72075 1.0000
N34 N 1 0.80571 0.72907 0.22075 1.0000
N35 N 1 0.47907 0.22353 0.72075 1.0000
N36 N 1 0.97353 0.05018 0.22075 1.0000
N37 N 1 0.21462 0.67822 0.72304 1.0000
N38 N 1 0.42822 0.31234 0.22304 1.0000
N39 N 1 0.06234 0.59874 0.72304 1.0000
N40 N 1 0.34874 0.46462 0.22304 1.0000
N41 N 1 0.79037 0.08641 0.77229 1.0000
N42 N 1 0.83641 0.68734 0.27229 1.0000
N43 N 1 0.43734 0.14130 0.77229 1.0000
N44 N 1 0.89130 0.04037 0.27229 1.0000
N45 N 1 0.22196 0.60857 0.74846 1.0000
N46 N 1 0.35857 0.27958 0.24846 1.0000
N47 N 1 0.02958 0.64296 0.74846 1.0000
N48 N 1 0.39296 0.47196 0.24846 1.0000
N49 N 1 0.15677 0.36337 0.00942 1.0000
N50 N 1 0.11337 0.08381 0.50942 1.0000
N51 N 1 0.83381 0.62721 0.00942 1.0000
N52 N 1 0.37721 0.40677 0.50942 1.0000
N53 N 1 0.35253 0.84099 0.03776 1.0000
N54 N 1 0.59099 0.85971 0.53776 1.0000
N55 N 1 0.60971 0.12125 0.03776 1.0000
N56 N 1 0.87125 0.60253 0.53776 1.0000
N57 N 1 0.11259 0.28883 0.98739 1.0000
N58 N 1 0.03883 0.15002 0.48739 1.0000
N59 N 1 0.90002 0.72378 0.98739 1.0000
N60 N 1 0.47378 0.36259 0.48739 1.0000
N61 N 1 0.18580 0.75576 0.19202 1.0000
N62 N 1 0.50576 0.87218 0.69202 1.0000
N63 N 1 0.62218 0.05222 0.19202 1.0000
N64 N 1 0.80222 0.43580 0.69202 1.0000
N65 N 1 0.26802 0.86120 0.00404 1.0000
N66 N 1 0.61120 0.97794 0.50404 1.0000
N67 N 1 0.72794 0.13476 0.00404 1.0000
N68 N 1 0.88476 0.51802 0.50404 1.0000
N69 N 1 0.22445 0.38789 0.81088 1.0000
N70 N 1 0.13789 0.21466 0.31088 1.0000
N71 N 1 0.96466 0.80122 0.81088 1.0000
N72 N 1 0.55122 0.47445 0.31088 1.0000
N73 N 1 0.72514 0.89291 0.74140 1.0000
N74 N 1 0.64291 0.78346 0.24140 1.0000
N75 N 1 0.53346 0.36569 0.74140 1.0000
N76 N 1 0.11569 0.97514 0.24140 1.0000
N77 N 1 0.60549 0.25364 0.28545 1.0000
N78 N 1 0.00364 0.35907 0.78545 1.0000
N79 N 1 0.10907 0.46091 0.28545 1.0000
N80 N 1 0.21091 0.85549 0.78545 1.0000
N81 N 1 0.89135 0.95525 0.58502 1.0000
N82 N 1 0.70525 0.77363 0.08502 1.0000
N83 N 1 0.52363 0.45973 0.58502 1.0000
N84 N 1 0.20973 0.14135 0.08502 1.0000
N85 N 1 0.53729 0.15616 0.31020 1.0000
N86 N 1 0.90616 0.40251 0.81020 1.0000
N87 N 1 0.15251 0.53364 0.31020 1.0000
N88 N 1 0.28364 0.78729 0.81020 1.0000
N89 N 1 0.50012 0.08137 0.46140 1.0000
N90 N 1 0.83137 0.28848 0.96140 1.0000
N91 N 1 0.03848 0.45723 0.46140 1.0000
N92 N 1 0.20723 0.75012 0.96140 1.0000
N93 N 1 0.81001 0.84036 0.75269 1.0000
N94 N 1 0.59036 0.68730 0.25269 1.0000
N95 N 1 0.43730 0.40694 0.75269 1.0000
N96 N 1 0.15694 0.06001 0.25269 1.0000
N97 N 1 0.81386 0.16001 0.38342 1.0000
N98 N 1 0.91001 0.05271 0.88342 1.0000
N99 N 1 0.80271 0.45657 0.38342 1.0000
N100 N 1 0.20657 0.06386 0.88342 1.0000
N101 N 1 0.38418 0.57949 0.87983 1.0000
N102 N 1 0.32949 0.98599 0.37983 1.0000
N103 N 1 0.73599 0.54067 0.87983 1.0000
N104 N 1 0.29067 0.63418 0.37983 1.0000
N105 N 1 0.67992 0.13707 0.46604 1.0000
N106 N 1 0.88707 0.10404 0.96604 1.0000
N107 N 1 0.85404 0.39689 0.46604 1.0000
N108 N 1 0.14689 0.92992 0.96604 1.0000
N109 N 1 0.40430 0.57499 0.74213 1.0000
N110 N 1 0.32499 0.10356 0.24213 1.0000
N111 N 1 0.85356 0.68288 0.74213 1.0000
N112 N 1 0.43288 0.65430 0.24213 1.0000
N113 N 1 0.86382 0.15035 0.53908 1.0000
N114 N 1 0.90035 0.84709 0.03908 1.0000
N115 N 1 0.59709 0.31057 0.53908 1.0000
N116 N 1 0.06057 0.11382 0.03908 1.0000
N117 N 1 0.32447 0.78045 0.56653 1.0000
N118 N 1 0.53045 0.35900 0.06653 1.0000
N119 N 1 0.10900 0.65301 0.56653 1.0000
N120 N 1 0.40301 0.57447 0.06653 1.0000
N121 N 1 0.84781 0.19966 0.62236 1.0000
N122 N 1 0.94966 0.77983 0.12236 1.0000
N123 N 1 0.52983 0.17798 0.62236 1.0000
N124 N 1 0.92798 0.09781 0.12236 1.0000
N125 N 1 0.33627 0.66853 0.60735 1.0000
N126 N 1 0.41853 0.30639 0.10735 1.0000
N127 N 1 0.05639 0.72413 0.60735 1.0000
N128 N 1 0.47413 0.58627 0.10735 1.0000
N129 N 1 0.07143 0.27417 0.10922 1.0000
N130 N 1 0.02417 0.06934 0.60922 1.0000
N131 N 1 0.81934 0.61661 0.10922 1.0000
N132 N 1 0.36661 0.32143 0.60922 1.0000
N133 N 1 0.23816 0.74359 0.21211 1.0000
N134 N 1 0.49359 0.79972 0.71211 1.0000
N135 N 1 0.54972 0.04429 0.21211 1.0000
N136 N 1 0.79429 0.48816 0.71211 1.0000
N137 N 1 0.37072 0.91347 0.90932 1.0000
N138 N 1 0.66347 0.96996 0.40932 1.0000
N139 N 1 0.71996 0.17722 0.90932 1.0000
N140 N 1 0.92722 0.62072 0.40932 1.0000
N141 N 1 0.25101 0.43311 0.82567 1.0000
N142 N 1 0.18311 0.17332 0.32567 1.0000
N143 N 1 0.92332 0.74122 0.82567 1.0000
N144 N 1 0.49122 0.50101 0.32567 1.0000
N145 N 1 0.83852 0.98699 0.57875 1.0000
N146 N 1 0.73699 0.83274 0.07875 1.0000
N147 N 1 0.58274 0.43426 0.57875 1.0000
N148 N 1 0.18426 0.08852 0.07875 1.0000
N149 N 1 0.60239 0.26228 0.20201 1.0000
N150 N 1 0.01228 0.44560 0.70201 1.0000
N151 N 1 0.19560 0.53571 0.20201 1.0000
N152 N 1 0.28571 0.85239 0.70201 1.0000
N153 N 1 0.54221 0.14181 0.44557 1.0000
N154 N 1 0.89181 0.26222 0.94557 1.0000
N155 N 1 0.01222 0.41262 0.44557 1.0000
N156 N 1 0.16262 0.79221 0.94557 1.0000
N157 N 1 0.70773 0.80239 0.84855 1.0000
N158 N 1 0.55239 0.69372 0.34855 1.0000
N159 N 1 0.44372 0.34906 0.84855 1.0000
N160 N 1 0.09906 0.95773 0.34855 1.0000
Zn1 Zn 1 0.90368 0.14826 0.39168 1.0000
Zn2 Zn 1 0.89826 0.95464 0.89168 1.0000
Zn3 Zn 1 0.70464 0.46006 0.39168 1.0000
Zn4 Zn 1 0.21006 0.15368 0.89168 1.0000
Zn5 Zn 1 0.36218 0.62109 0.96980 1.0000
Zn6 Zn 1 0.37109 0.91802 0.46980 1.0000
Zn7 Zn 1 0.66802 0.40912 0.96980 1.0000
Zn8 Zn 1 0.15912 0.61218 0.46980 1.0000
Zn9 Zn 1 0.52504 0.08352 0.62076 1.0000
Zn10 Zn 1 0.83352 0.10420 0.12076 1.0000
Zn11 Zn 1 0.85420 0.29572 0.62076 1.0000
Zn12 Zn 1 0.04572 0.77504 0.12076 1.0000
Zn13 Zn 1 0.39381 0.59202 0.61574 1.0000
Zn14 Zn 1 0.34202 0.24045 0.11574 1.0000
Zn15 Zn 1 0.99045 0.79224 0.61574 1.0000
Zn16 Zn 1 0.54224 0.64381 0.11574 1.0000
#End 

data_7-sql_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           ONATUT
_cell_length_a                      8.199304
_cell_length_b                      10.6073
_cell_length_c                      15.07382
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        1311.007
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P b c a'
_symmetry_Int_Tables_number         61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-z
5 -x,-y,-z
6 1/2+x,y,1/2-z
7 1/2-x,1/2+y,z
8 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 8 0.74351 0.75477 0.92883 1.0000
N2 N 8 0.64703 0.57378 0.93501 1.0000
N3 N 8 0.54554 0.65120 0.97736 1.0000
N4 N 8 0.76960 0.63809 0.90471 1.0000
N5 N 8 0.60556 0.76369 0.97313 1.0000
N6 N 8 0.84455 0.43917 0.73940 1.0000
N7 N 8 0.87636 0.38400 0.66365 1.0000
N8 N 8 0.70623 0.39302 0.76574 1.0000
N9 N 8 0.75750 0.30391 0.64357 1.0000
N10 N 8 0.65208 0.30901 0.70679 1.0000
Zn1 Zn 8 0.90045 0.89538 0.89490 1.0000
#End 

data_8-sql2_Zn

_audit_creation_method              ToposPro
_Chemical_Name_Systematic           BOJXAZ
_cell_length_a                      9.612414
_cell_length_b                      11.39182
_cell_length_c                      11.91699
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        1304.946
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P b c a'
_symmetry_Int_Tables_number         61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-z
5 -x,-y,-z
6 1/2+x,y,1/2-z
7 1/2-x,1/2+y,z
8 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 8 0.25802 0.19375 0.03557 1.0000
N2 N 8 0.20762 0.28726 0.08387 1.0000
N3 N 8 0.25542 0.37561 0.02591 1.0000
N4 N 8 0.33499 0.33621 0.94241 1.0000
N5 N 8 0.33704 0.22361 0.94848 1.0000
N6 N 8 0.04534 0.01232 0.17263 1.0000
N7 N 8 0.95281 0.93783 0.12990 1.0000
N8 N 8 0.84555 0.93987 0.19446 1.0000
N9 N 8 0.87234 0.01528 0.27633 1.0000
N10 N 8 0.99622 0.06039 0.26341 1.0000
Zn1 Zn 8 0.23163 0.03610 0.09930 1.0000
#End 

data_9-sql3_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic	        AXIVAF
_cell_length_a                      9.298202
_cell_length_b                      11.04785
_cell_length_c                      13.83197
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        1420.891
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P b c a'
_symmetry_Int_Tables_number         61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-z
5 -x,-y,-z
6 1/2+x,y,1/2-z
7 1/2-x,1/2+y,z
8 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 8 0.11054 0.68659 0.00612 1.0000
N2 N 8 0.14833 0.79868 0.00765 1.0000
N3 N 8 0.25772 0.80784 0.06918 1.0000
N4 N 8 0.19680 0.62723 0.06677 1.0000
N5 N 8 0.28764 0.70231 0.10629 1.0000
N6 N 8 0.85789 0.53740 0.12209 1.0000
N7 N 8 0.96019 0.47409 0.16650 1.0000
N8 N 8 0.74672 0.53693 0.17788 1.0000
N9 N 8 0.91339 0.43423 0.24927 1.0000
N10 N 8 0.78130 0.47317 0.25588 1.0000
Zn1 Zn 8 0.16259 0.46082 0.12061 1.0000
#End

data_10-yqt1_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           GUPBOJ
_cell_length_a                      10.31429
_cell_length_b                      10.31429
_cell_length_c                      12.41281
_cell_angle_alpha                   107.678
_cell_angle_beta                    107.678
_cell_angle_gamma                   96.06631
_cell_volume                        1169.93
_cell_formula_units_Z               6
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.09831 0.11160 0.37564 1.0000
N2 N 1 0.88840 0.90169 0.12436 1.0000
N3 N 1 0.89875 0.88768 0.62237 1.0000
N4 N 1 0.11232 0.10125 0.87763 1.0000
N5 N 1 0.12270 0.32532 0.45325 1.0000
N6 N 1 0.67468 0.87730 0.04675 1.0000
N7 N 1 0.85940 0.67289 0.54256 1.0000
N8 N 1 0.32711 0.14060 0.95744 1.0000
N9 N 1 0.12056 0.60782 0.37381 1.0000
N10 N 1 0.39218 0.87944 0.12619 1.0000
N11 N 1 0.89770 0.39218 0.62868 1.0000
N12 N 1 0.60782 0.10230 0.87132 1.0000
N13 N 1 0.06519 0.75391 0.29471 1.0000
N14 N 1 0.24609 0.93481 0.20529 1.0000
N15 N 1 0.94449 0.24579 0.70909 1.0000
N16 N 1 0.75421 0.05551 0.79091 1.0000
N17 N 1 0.24598 0.65574 0.65737 1.0000
N18 N 1 0.34426 0.75402 0.84263 1.0000
N19 N 1 0.75191 0.34830 0.34250 1.0000
N20 N 1 0.65170 0.24809 0.15750 1.0000
N21 N 1 0.40087 0.47313 0.50823 1.0000
N22 N 1 0.52687 0.59913 0.99177 1.0000
N23 N 1 0.60330 0.45603 0.52408 1.0000
N24 N 1 0.54397 0.39670 0.97592 1.0000
N25 N 1 0.11926 0.22787 0.35606 1.0000
N26 N 1 0.77213 0.88074 0.14394 1.0000
N27 N 1 0.86295 0.77205 0.63862 1.0000
N28 N 1 0.22795 0.13705 0.86138 1.0000
N29 N 1 0.08934 0.13680 0.48451 1.0000
N30 N 1 0.86320 0.91066 0.01549 1.0000
N31 N 1 0.91714 0.86038 0.51685 1.0000
N32 N 1 0.13962 0.08286 0.98315 1.0000
N33 N 1 0.10522 0.26959 0.53272 1.0000
N34 N 1 0.73041 0.89478 0.96728 1.0000
N35 N 1 0.89255 0.72686 0.46713 1.0000
N36 N 1 0.27314 0.10745 0.03287 1.0000
N37 N 1 0.15937 0.73679 0.38364 1.0000
N38 N 1 0.26321 0.84063 0.11636 1.0000
N39 N 1 0.85657 0.26311 0.61690 1.0000
N40 N 1 0.73689 0.14343 0.88310 1.0000
N41 N 1 0.96853 0.63613 0.23002 1.0000
N42 N 1 0.36387 0.03147 0.26998 1.0000
N43 N 1 0.03966 0.36373 0.77799 1.0000
N44 N 1 0.63627 0.96034 0.72201 1.0000
N45 N 1 0.00275 0.54554 0.27915 1.0000
N46 N 1 0.45446 0.99725 0.22085 1.0000
N47 N 1 0.01055 0.45457 0.72785 1.0000
N48 N 1 0.54543 0.98945 0.77215 1.0000
N49 N 1 0.34650 0.65350 0.75000 1.0000
N50 N 1 0.65018 0.34982 0.25000 1.0000
N51 N 1 0.18170 0.75729 0.69239 1.0000
N52 N 1 0.24271 0.81830 0.80761 1.0000
N53 N 1 0.81536 0.24627 0.30744 1.0000
N54 N 1 0.75373 0.18464 0.19256 1.0000
N55 N 1 0.51158 0.52929 0.49547 1.0000
N56 N 1 0.47071 0.48842 0.00453 1.0000
N57 N 1 0.42392 0.36554 0.54452 1.0000
N58 N 1 0.63446 0.57608 0.95548 1.0000
N59 N 1 0.54961 0.35515 0.55427 1.0000
N60 N 1 0.64485 0.45039 0.94573 1.0000
Zn1 Zn 1 0.21501 0.52372 0.49170 1.0000
Zn2 Zn 1 0.47628 0.78499 0.00830 1.0000
Zn3 Zn 1 0.79358 0.47419 0.51334 1.0000
Zn4 Zn 1 0.52581 0.20642 0.98666 1.0000
Zn5 Zn 1 0.07369 0.92631 0.25000 1.0000
Zn6 Zn 1 0.92747 0.07253 0.75000 1.0000
#End 

data_11-zni2_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           GITTAF
_cell_length_a                      22.88506
_cell_length_b                      22.88506
_cell_length_c                      17.32761
_cell_angle_alpha                   48.67238
_cell_angle_beta                    48.67238
_cell_angle_gamma                   90
_cell_volume                        3244.704
_cell_formula_units_Z               16
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.16305 0.75000 0.50000 1.0000
N2 N 1 0.25000 0.83695 0.00000 1.0000
N3 N 1 0.83695 0.25000 0.50000 1.0000
N4 N 1 0.33695 0.25000 0.50000 1.0000
N5 N 1 0.75000 0.16305 0.00000 1.0000
N6 N 1 0.25000 0.33695 0.00000 1.0000
N7 N 1 0.66305 0.75000 0.50000 1.0000
N8 N 1 0.75000 0.66305 0.00000 1.0000
N9 N 1 0.52574 0.09047 0.97672 1.0000
N10 N 1 0.90953 0.47426 0.52328 1.0000
N11 N 1 0.99755 0.59047 0.97672 1.0000
N12 N 1 0.49755 0.43281 0.97672 1.0000
N13 N 1 0.97426 0.06719 0.02328 1.0000
N14 N 1 0.09047 0.52574 0.47672 1.0000
N15 N 1 0.59047 0.99755 0.47672 1.0000
N16 N 1 0.06719 0.97426 0.52328 1.0000
N17 N 1 0.43281 0.49755 0.47672 1.0000
N18 N 1 0.00245 0.40953 0.02328 1.0000
N19 N 1 0.50245 0.56719 0.02328 1.0000
N20 N 1 0.02574 0.93281 0.97672 1.0000
N21 N 1 0.47426 0.90953 0.02328 1.0000
N22 N 1 0.40953 0.00245 0.52328 1.0000
N23 N 1 0.93281 0.02574 0.47672 1.0000
N24 N 1 0.56719 0.50245 0.52328 1.0000
N25 N 1 0.50378 0.25378 0.75000 1.0000
N26 N 1 0.74622 0.49622 0.75000 1.0000
N27 N 1 0.24622 0.75378 0.75000 1.0000
N28 N 1 0.99622 0.00378 0.25000 1.0000
N29 N 1 0.25378 0.50378 0.25000 1.0000
N30 N 1 0.75378 0.24622 0.25000 1.0000
N31 N 1 0.00378 0.99622 0.75000 1.0000
N32 N 1 0.49622 0.74622 0.25000 1.0000
N33 N 1 0.39607 0.13438 0.84934 1.0000
N34 N 1 0.86562 0.60393 0.65066 1.0000
N35 N 1 0.25459 0.63438 0.84934 1.0000
N36 N 1 0.75459 0.51628 0.84934 1.0000
N37 N 1 0.10393 0.98372 0.15066 1.0000
N38 N 1 0.13438 0.39607 0.34934 1.0000
N39 N 1 0.63438 0.25459 0.34934 1.0000
N40 N 1 0.98372 0.10393 0.65066 1.0000
N41 N 1 0.51628 0.75459 0.34934 1.0000
N42 N 1 0.74541 0.36562 0.15066 1.0000
N43 N 1 0.24541 0.48372 0.15066 1.0000
N44 N 1 0.89607 0.01628 0.84934 1.0000
N45 N 1 0.60393 0.86562 0.15066 1.0000
N46 N 1 0.36562 0.74541 0.65066 1.0000
N47 N 1 0.01628 0.89607 0.34934 1.0000
N48 N 1 0.48372 0.24541 0.65066 1.0000
N49 N 1 0.39175 0.99766 0.26588 1.0000
N50 N 1 0.00234 0.60825 0.23412 1.0000
N51 N 1 0.84237 0.49766 0.26588 1.0000
N52 N 1 0.34237 0.23647 0.26588 1.0000
N53 N 1 0.10825 0.26353 0.73412 1.0000
N54 N 1 0.99766 0.39175 0.76588 1.0000
N55 N 1 0.49766 0.84237 0.76588 1.0000
N56 N 1 0.26353 0.10825 0.23412 1.0000
N57 N 1 0.23647 0.34237 0.76588 1.0000
N58 N 1 0.15763 0.50234 0.73412 1.0000
N59 N 1 0.65763 0.76353 0.73412 1.0000
N60 N 1 0.89175 0.73647 0.26588 1.0000
N61 N 1 0.60825 0.00234 0.73412 1.0000
N62 N 1 0.50234 0.15763 0.23412 1.0000
N63 N 1 0.73647 0.89175 0.76588 1.0000
N64 N 1 0.76353 0.65763 0.23412 1.0000
N65 N 1 0.57172 0.09382 0.99438 1.0000
N66 N 1 0.90618 0.42828 0.50562 1.0000
N67 N 1 0.93390 0.59382 0.99438 1.0000
N68 N 1 0.43390 0.41180 0.99438 1.0000
N69 N 1 0.92828 0.08820 0.00562 1.0000
N70 N 1 0.09382 0.57172 0.49438 1.0000
N71 N 1 0.59382 0.93390 0.49438 1.0000
N72 N 1 0.08820 0.92828 0.50562 1.0000
N73 N 1 0.41180 0.43390 0.49438 1.0000
N74 N 1 0.06610 0.40618 0.00562 1.0000
N75 N 1 0.56610 0.58820 0.00562 1.0000
N76 N 1 0.07172 0.91180 0.99438 1.0000
N77 N 1 0.42828 0.90618 0.00562 1.0000
N78 N 1 0.40618 0.06610 0.50562 1.0000
N79 N 1 0.91180 0.07172 0.49438 1.0000
N80 N 1 0.58820 0.56610 0.50562 1.0000
N81 N 1 0.18169 0.83804 0.39327 1.0000
N82 N 1 0.16196 0.81831 0.10673 1.0000
N83 N 1 0.92505 0.33804 0.39327 1.0000
N84 N 1 0.42505 0.26869 0.39327 1.0000
N85 N 1 0.31831 0.23131 0.60673 1.0000
N86 N 1 0.83804 0.18169 0.89327 1.0000
N87 N 1 0.33804 0.92505 0.89327 1.0000
N88 N 1 0.23131 0.31831 0.10673 1.0000
N89 N 1 0.26869 0.42505 0.89327 1.0000
N90 N 1 0.07495 0.66196 0.60673 1.0000
N91 N 1 0.57495 0.73131 0.60673 1.0000
N92 N 1 0.68169 0.76869 0.39327 1.0000
N93 N 1 0.81831 0.16196 0.60673 1.0000
N94 N 1 0.66196 0.07495 0.10673 1.0000
N95 N 1 0.76869 0.68169 0.89327 1.0000
N96 N 1 0.73131 0.57495 0.10673 1.0000
N97 N 1 0.41486 0.03111 0.14435 1.0000
N98 N 1 0.96889 0.58514 0.35565 1.0000
N99 N 1 0.94078 0.53111 0.14435 1.0000
N100 N 1 0.44078 0.32453 0.14435 1.0000
N101 N 1 0.08514 0.17547 0.85565 1.0000
N102 N 1 0.03111 0.41486 0.64435 1.0000
N103 N 1 0.53111 0.94078 0.64435 1.0000
N104 N 1 0.17547 0.08514 0.35565 1.0000
N105 N 1 0.32453 0.44078 0.64435 1.0000
N106 N 1 0.05922 0.46889 0.85565 1.0000
N107 N 1 0.55922 0.67547 0.85565 1.0000
N108 N 1 0.91486 0.82453 0.14435 1.0000
N109 N 1 0.58514 0.96889 0.85565 1.0000
N110 N 1 0.46889 0.05922 0.35565 1.0000
N111 N 1 0.82453 0.91486 0.64435 1.0000
N112 N 1 0.67547 0.55922 0.35565 1.0000
N113 N 1 0.40898 0.14003 0.90954 1.0000
N114 N 1 0.85997 0.59102 0.59046 1.0000
N115 N 1 0.18149 0.64003 0.90954 1.0000
N116 N 1 0.68149 0.45043 0.90954 1.0000
N117 N 1 0.09102 0.04957 0.09046 1.0000
N118 N 1 0.14003 0.40898 0.40954 1.0000
N119 N 1 0.64003 0.18149 0.40954 1.0000
N120 N 1 0.04957 0.09102 0.59046 1.0000
N121 N 1 0.45043 0.68149 0.40954 1.0000
N122 N 1 0.81851 0.35997 0.09046 1.0000
N123 N 1 0.31851 0.54957 0.09046 1.0000
N124 N 1 0.90898 0.95043 0.90954 1.0000
N125 N 1 0.59102 0.85997 0.09046 1.0000
N126 N 1 0.35997 0.81851 0.59046 1.0000
N127 N 1 0.95043 0.90898 0.40954 1.0000
N128 N 1 0.54957 0.31851 0.59046 1.0000
N129 N 1 0.48886 0.03658 0.17275 1.0000
N130 N 1 0.96342 0.51114 0.32725 1.0000
N131 N 1 0.83839 0.53658 0.17275 1.0000
N132 N 1 0.33839 0.29067 0.17275 1.0000
N133 N 1 0.01114 0.20933 0.82725 1.0000
N134 N 1 0.03658 0.48886 0.67275 1.0000
N135 N 1 0.53658 0.83839 0.67275 1.0000
N136 N 1 0.20933 0.01114 0.32725 1.0000
N137 N 1 0.29067 0.33839 0.67275 1.0000
N138 N 1 0.16161 0.46342 0.82725 1.0000
N139 N 1 0.66161 0.70933 0.82725 1.0000
N140 N 1 0.98886 0.79067 0.17275 1.0000
N141 N 1 0.51114 0.96342 0.82725 1.0000
N142 N 1 0.46342 0.16161 0.32725 1.0000
N143 N 1 0.79067 0.98886 0.67275 1.0000
N144 N 1 0.70933 0.66161 0.32725 1.0000
N145 N 1 0.10576 0.80473 0.43366 1.0000
N146 N 1 0.19527 0.89424 0.06634 1.0000
N147 N 1 0.96059 0.30473 0.43366 1.0000
N148 N 1 0.46059 0.26161 0.43366 1.0000
N149 N 1 0.39424 0.23839 0.56634 1.0000
N150 N 1 0.80473 0.10576 0.93366 1.0000
N151 N 1 0.30473 0.96059 0.93366 1.0000
N152 N 1 0.23839 0.39424 0.06634 1.0000
N153 N 1 0.26161 0.46059 0.93366 1.0000
N154 N 1 0.03941 0.69527 0.56634 1.0000
N155 N 1 0.53941 0.73839 0.56634 1.0000
N156 N 1 0.60576 0.76161 0.43366 1.0000
N157 N 1 0.89424 0.19527 0.56634 1.0000
N158 N 1 0.69527 0.03941 0.06634 1.0000
N159 N 1 0.76161 0.60576 0.93366 1.0000
N160 N 1 0.73839 0.53941 0.06634 1.0000
Zn1 Zn 1 0.30144 0.99955 0.19912 1.0000
Zn2 Zn 1 0.00045 0.69856 0.30088 1.0000
Zn3 Zn 1 0.99944 0.49955 0.19912 1.0000
Zn4 Zn 1 0.49944 0.30133 0.19912 1.0000
Zn5 Zn 1 0.19856 0.19867 0.80088 1.0000
Zn6 Zn 1 0.99955 0.30144 0.69912 1.0000
Zn7 Zn 1 0.49955 0.99944 0.69912 1.0000
Zn8 Zn 1 0.19867 0.19856 0.30088 1.0000
Zn9 Zn 1 0.30133 0.49944 0.69912 1.0000
Zn10 Zn 1 0.00056 0.50045 0.80088 1.0000
Zn11 Zn 1 0.50056 0.69867 0.80088 1.0000
Zn12 Zn 1 0.80144 0.80133 0.19912 1.0000
Zn13 Zn 1 0.69856 0.00045 0.80088 1.0000
Zn14 Zn 1 0.50045 0.00056 0.30088 1.0000
Zn15 Zn 1 0.80133 0.80144 0.69912 1.0000
Zn16 Zn 1 0.69867 0.50056 0.30088 1.0000
#End 

data_12-mog_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           CUIMDZ03
_cell_length_a                      12.1276
_cell_length_b                      12.1276
_cell_length_c                      9.507081
_cell_angle_alpha                   94.94559
_cell_angle_beta                    94.94559
_cell_angle_gamma                   124.2176
_cell_volume                        1136.451
_cell_formula_units_Z               6
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.10932 0.61480 0.24285 1.0000
N2 N 1 0.38520 0.89068 0.25715 1.0000
N3 N 1 0.89068 0.38520 0.75715 1.0000
N4 N 1 0.61480 0.10932 0.74285 1.0000
N5 N 1 0.93934 0.60390 0.28627 1.0000
N6 N 1 0.39610 0.06066 0.21373 1.0000
N7 N 1 0.06066 0.39610 0.71373 1.0000
N8 N 1 0.60390 0.93934 0.78627 1.0000
N9 N 1 0.07045 0.68188 0.31189 1.0000
N10 N 1 0.31812 0.92955 0.18811 1.0000
N11 N 1 0.92955 0.31812 0.68811 1.0000
N12 N 1 0.68188 0.07045 0.81189 1.0000
N13 N 1 0.00265 0.49586 0.17496 1.0000
N14 N 1 0.50414 0.99735 0.32504 1.0000
N15 N 1 0.99735 0.50414 0.82504 1.0000
N16 N 1 0.49586 0.00265 0.67496 1.0000
N17 N 1 0.89674 0.48889 0.20168 1.0000
N18 N 1 0.51111 0.10326 0.29832 1.0000
N19 N 1 0.10326 0.51111 0.79832 1.0000
N20 N 1 0.48889 0.89674 0.70168 1.0000
N21 N 1 0.81087 0.76724 0.49356 1.0000
N22 N 1 0.23276 0.18913 0.00644 1.0000
N23 N 1 0.18913 0.23276 0.50644 1.0000
N24 N 1 0.76724 0.81087 0.99356 1.0000
N25 N 1 0.74787 0.81795 0.66833 1.0000
N26 N 1 0.18205 0.25213 0.83167 1.0000
N27 N 1 0.25213 0.18205 0.33167 1.0000
N28 N 1 0.81795 0.74787 0.16833 1.0000
N29 N 1 0.84060 0.89038 0.48837 1.0000
N30 N 1 0.10962 0.15940 0.01163 1.0000
N31 N 1 0.15940 0.10962 0.51163 1.0000
N32 N 1 0.89038 0.84060 0.98837 1.0000
N33 N 1 0.75343 0.72230 0.60507 1.0000
N34 N 1 0.27770 0.24657 0.89493 1.0000
N35 N 1 0.24657 0.27770 0.39493 1.0000
N36 N 1 0.72230 0.75343 0.10507 1.0000
N37 N 1 0.80174 0.92216 0.59704 1.0000
N38 N 1 0.07784 0.19826 0.90296 1.0000
N39 N 1 0.19826 0.07784 0.40296 1.0000
N40 N 1 0.92216 0.80174 0.09704 1.0000
N41 N 1 0.35293 0.63509 0.42035 1.0000
N42 N 1 0.36491 0.64707 0.07965 1.0000
N43 N 1 0.64707 0.36491 0.57965 1.0000
N44 N 1 0.63509 0.35293 0.92035 1.0000
N45 N 1 0.31652 0.52465 0.58690 1.0000
N46 N 1 0.47535 0.68348 0.91310 1.0000
N47 N 1 0.68348 0.47535 0.41310 1.0000
N48 N 1 0.52465 0.31652 0.08690 1.0000
N49 N 1 0.25657 0.54472 0.48248 1.0000
N50 N 1 0.45528 0.74343 0.01752 1.0000
N51 N 1 0.74343 0.45528 0.51752 1.0000
N52 N 1 0.54472 0.25657 0.98248 1.0000
N53 N 1 0.47183 0.67049 0.48567 1.0000
N54 N 1 0.32951 0.52817 0.01433 1.0000
N55 N 1 0.52817 0.32951 0.51433 1.0000
N56 N 1 0.67049 0.47183 0.98567 1.0000
N57 N 1 0.44902 0.60170 0.58937 1.0000
N58 N 1 0.39830 0.55098 0.91063 1.0000
N59 N 1 0.55098 0.39830 0.41063 1.0000
N60 N 1 0.60170 0.44902 0.08937 1.0000
Zn1 Zn 1 0.30541 0.69459 0.25000 1.0000
Zn2 Zn 1 0.69459 0.30541 0.75000 1.0000
Zn3 Zn 1 0.80728 0.64739 0.32961 1.0000
Zn4 Zn 1 0.35261 0.19272 0.17039 1.0000
Zn5 Zn 1 0.19272 0.35261 0.67039 1.0000
Zn6 Zn 1 0.64739 0.80728 0.82961 1.0000
#End 

data_13-ict_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           GUPBOJ01
_cell_length_a                      15.99498
_cell_length_b                      26.65099
_cell_length_c                      13.36449
_cell_angle_alpha                   90
_cell_angle_beta                    104.7179
_cell_angle_gamma                   90
_cell_volume                        5510.115
_cell_formula_units_Z               24
_symmetry_space_group_name_H-M      'P 21/c'
_symmetry_Int_Tables_number         14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 4 0.64476 0.10728 0.18337 1.0000
N2 N 4 0.53801 0.15367 0.16646 1.0000
N3 N 4 0.41481 0.14881 0.31832 1.0000
N4 N 4 0.43618 0.12071 0.46716 1.0000
N5 N 4 0.45279 0.25614 0.21515 1.0000
N6 N 4 0.46920 0.33185 0.19004 1.0000
N7 N 4 0.41592 0.45599 0.13613 1.0000
N8 N 4 0.34240 0.50843 0.18971 1.0000
N9 N 4 0.76380 0.01577 0.11746 1.0000
N10 N 4 0.79387 0.00282 0.97766 1.0000
N11 N 4 0.72470 0.44171 0.24874 1.0000
N12 N 4 0.60809 0.41074 0.16858 1.0000
N13 N 4 0.83609 0.94974 0.78201 1.0000
N14 N 4 0.87621 0.89681 0.69081 1.0000
N15 N 4 0.03637 0.29759 0.86863 1.0000
N16 N 4 0.04939 0.22244 0.83628 1.0000
N17 N 4 0.95611 0.09412 0.39687 1.0000
N18 N 4 0.83321 0.06628 0.33300 1.0000
N19 N 4 0.91966 0.06017 0.88188 1.0000
N20 N 4 0.01927 0.11012 0.88503 1.0000
N21 N 4 0.20138 0.16877 0.97561 1.0000
N22 N 4 0.31386 0.17903 0.09135 1.0000
N23 N 4 0.13896 0.13552 0.71924 1.0000
N24 N 4 0.12648 0.12762 0.56166 1.0000
N25 N 4 0.56587 0.10851 0.19400 1.0000
N26 N 4 0.66560 0.15144 0.14965 1.0000
N27 N 4 0.59932 0.18030 0.13923 1.0000
N28 N 4 0.47438 0.14341 0.40466 1.0000
N29 N 4 0.35347 0.11213 0.41997 1.0000
N30 N 4 0.34028 0.12953 0.32747 1.0000
N31 N 4 0.43996 0.29016 0.14275 1.0000
N32 N 4 0.50008 0.32363 0.29103 1.0000
N33 N 4 0.48976 0.27656 0.30667 1.0000
N34 N 4 0.37972 0.46496 0.21125 1.0000
N35 N 4 0.40131 0.49376 0.06846 1.0000
N36 N 4 0.35566 0.52637 0.10185 1.0000
N37 N 4 0.74209 0.02812 0.01983 1.0000
N38 N 4 0.82910 0.98319 0.13576 1.0000
N39 N 4 0.84772 0.97520 0.04892 1.0000
N40 N 4 0.64212 0.45112 0.21754 1.0000
N41 N 4 0.66920 0.37658 0.16969 1.0000
N42 N 4 0.74164 0.39577 0.21939 1.0000
N43 N 4 0.86209 0.94465 0.69775 1.0000
N44 N 4 0.85941 0.87241 0.77054 1.0000
N45 N 4 0.83429 0.90521 0.82710 1.0000
N46 N 4 0.09242 0.26431 0.85596 1.0000
N47 N 4 0.96708 0.22972 0.83692 1.0000
N48 N 4 0.95886 0.27646 0.85688 1.0000
N49 N 4 0.89352 0.09433 0.31259 1.0000
N50 N 4 0.93488 0.06595 0.46900 1.0000
N51 N 4 0.85847 0.04857 0.42933 1.0000
N52 N 4 0.96760 0.07851 0.82526 1.0000
N53 N 4 0.94152 0.08049 0.97629 1.0000
N54 N 4 0.00338 0.11158 0.97800 1.0000
N55 N 4 0.28200 0.15471 0.00536 1.0000
N56 N 4 0.18356 0.20145 0.04292 1.0000
N57 N 4 0.25320 0.20783 0.11460 1.0000
N58 N 4 0.08915 0.14690 0.62878 1.0000
N59 N 4 0.19927 0.10433 0.61032 1.0000
N60 N 4 0.20702 0.10927 0.70826 1.0000
Zn1 Zn 4 0.42975 0.18269 0.18996 1.0000
Zn2 Zn 4 0.48193 0.39569 0.11630 1.0000
Zn3 Zn 4 0.72287 0.04859 0.22962 1.0000
Zn4 Zn 4 0.81598 0.01591 0.83834 1.0000
Zn5 Zn 4 0.06643 0.36805 0.91158 1.0000
Zn6 Zn 4 0.10632 0.15477 0.84785 1.0000
#End 

data_14-nog_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           HIFWAV
_cell_length_a                      23.87734
_cell_length_b                      9.46632
_cell_length_c                      23.99521
_cell_angle_alpha                   90
_cell_angle_beta                    91.32262
_cell_angle_gamma                   90
_cell_volume                        5422.204
_cell_formula_units_Z               20
_symmetry_space_group_name_H-M      'P 21/n'
_symmetry_Int_Tables_number         14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 4 0.78299 0.84962 0.72123 1.0000
N2 N 4 0.77087 0.66954 0.76866 1.0000
N3 N 4 0.83906 0.13018 0.66423 1.0000
N4 N 4 0.91823 0.21423 0.67798 1.0000
N5 N 4 0.96087 0.39222 0.78065 1.0000
N6 N 4 0.95126 0.57055 0.82965 1.0000
N7 N 4 0.00771 0.07603 0.76158 1.0000
N8 N 4 0.00081 0.89477 0.80935 1.0000
N9 N 4 0.60236 0.36539 0.61599 1.0000
N10 N 4 0.64531 0.52444 0.57557 1.0000
N11 N 4 0.51639 0.75362 0.42973 1.0000
N12 N 4 0.58395 0.72660 0.48452 1.0000
N13 N 4 0.68754 0.84856 0.55427 1.0000
N14 N 4 0.72477 0.98071 0.61299 1.0000
N15 N 4 0.70845 0.58846 0.46250 1.0000
N16 N 4 0.75123 0.54389 0.39052 1.0000
N17 N 4 0.73973 0.69293 0.26821 1.0000
N18 N 4 0.71611 0.86946 0.22241 1.0000
N19 N 4 0.13783 0.37653 0.67273 1.0000
N20 N 4 0.05536 0.31817 0.68436 1.0000
N21 N 4 0.74722 0.78801 0.75343 1.0000
N22 N 4 0.82853 0.76964 0.71640 1.0000
N23 N 4 0.82101 0.65777 0.74596 1.0000
N24 N 4 0.88335 0.12029 0.69659 1.0000
N25 N 4 0.84625 0.22999 0.62583 1.0000
N26 N 4 0.89553 0.28232 0.63441 1.0000
N27 N 4 0.98133 0.51771 0.78999 1.0000
N28 N 4 0.91828 0.36735 0.81434 1.0000
N29 N 4 0.91236 0.47813 0.84480 1.0000
N30 N 4 0.97559 0.01341 0.79704 1.0000
N31 N 4 0.04839 0.88408 0.78172 1.0000
N32 N 4 0.05270 0.99679 0.75196 1.0000
N33 N 4 0.59854 0.45338 0.57436 1.0000
N34 N 4 0.67802 0.48076 0.61781 1.0000
N35 N 4 0.65127 0.38208 0.64304 1.0000
N36 N 4 0.56628 0.69771 0.43401 1.0000
N37 N 4 0.50324 0.81645 0.47736 1.0000
N38 N 4 0.54522 0.79974 0.51144 1.0000
N39 N 4 0.71519 0.84820 0.60163 1.0000
N40 N 4 0.67993 0.98063 0.53632 1.0000
N41 N 4 0.70314 0.06285 0.57289 1.0000
N42 N 4 0.71792 0.63631 0.41264 1.0000
N43 N 4 0.73576 0.46719 0.47120 1.0000
N44 N 4 0.76237 0.43961 0.42643 1.0000
N45 N 4 0.75748 0.81627 0.25202 1.0000
N46 N 4 0.67305 0.77965 0.22034 1.0000
N47 N 4 0.68773 0.66993 0.24879 1.0000
N48 N 4 0.10027 0.36323 0.71084 1.0000
N49 N 4 0.11644 0.33968 0.62295 1.0000
N50 N 4 0.06517 0.30325 0.63023 1.0000
Zn1 Zn 4 0.76778 0.03277 0.68162 1.0000
Zn2 Zn 4 0.98715 0.25648 0.72229 1.0000
Zn3 Zn 4 0.96601 0.75935 0.86215 1.0000
Zn4 Zn 4 0.65849 0.67389 0.51840 1.0000
Zn5 Zn 4 0.78374 0.55715 0.31498 1.0000
#End 

data_15-crb_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           GITTEJ
_cell_length_a                      20.19657
_cell_length_b                      9.963641
_cell_length_c                      20.22194
_cell_angle_alpha                   90
_cell_angle_beta                    92.33869
_cell_angle_gamma                   90
_cell_volume                        4065.9
_cell_formula_units_Z               16
_symmetry_space_group_name_H-M      'P 2/n'
_symmetry_Int_Tables_number         13
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,y,1/2-z
3 -x,-y,-z
4 1/2+x,-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 4 0.50464 0.29801 0.36002 1.0000
N2 N 4 0.43114 0.32051 0.43397 1.0000
N3 N 4 0.39542 0.20419 0.23625 1.0000
N4 N 4 0.38153 0.18467 0.17438 1.0000
N5 N 4 0.39179 0.98925 0.22044 1.0000
N6 N 4 0.55138 0.94230 0.40833 1.0000
N7 N 4 0.49075 0.79730 0.35395 1.0000
N8 N 4 0.58445 0.83184 0.40713 1.0000
N9 N 4 0.28266 0.02415 0.38423 1.0000
N10 N 4 0.34319 0.94874 0.46686 1.0000
N11 N 4 0.44762 0.14944 0.00329 1.0000
N12 N 4 0.34647 0.21990 0.99308 1.0000
N13 N 4 0.28221 0.93188 0.48105 1.0000
N14 N 4 0.37197 0.74846 0.99069 1.0000
N15 N 4 0.40063 0.69851 0.09210 1.0000
N16 N 4 0.40219 0.58937 0.05824 1.0000
N17 N 4 0.44845 0.26181 0.97178 1.0000
N18 N 4 0.71822 0.55415 0.37861 1.0000
N19 N 4 0.53348 0.45499 0.16173 1.0000
N20 N 4 0.51771 0.46850 0.22237 1.0000
N21 N 4 0.61801 0.54236 0.21529 1.0000
N22 N 4 0.66654 0.42983 0.44767 1.0000
N23 N 4 0.72873 0.42193 0.46340 1.0000
N24 N 4 0.46272 0.43268 0.43091 1.0000
N25 N 4 0.45724 0.23777 0.39014 1.0000
N26 N 4 0.40176 0.08356 0.26443 1.0000
N27 N 4 0.49375 0.92049 0.37553 1.0000
N28 N 4 0.34321 0.00564 0.40727 1.0000
N29 N 4 0.38474 0.12393 0.01614 1.0000
N30 N 4 0.38203 0.79640 0.05034 1.0000
N31 N 4 0.37940 0.05214 0.16486 1.0000
N32 N 4 0.24515 0.97848 0.43005 1.0000
N33 N 4 0.38603 0.30476 0.96563 1.0000
N34 N 4 0.38459 0.62059 0.99583 1.0000
N35 N 4 0.76049 0.49854 0.42072 1.0000
N36 N 4 0.59534 0.50043 0.15751 1.0000
N37 N 4 0.54689 0.74283 0.37358 1.0000
N38 N 4 0.56992 0.52219 0.25523 1.0000
N39 N 4 0.66022 0.51136 0.39547 1.0000
N40 N 4 0.50793 0.41831 0.38531 1.0000
Zn1 Zn 4 0.42315 0.05787 0.36046 1.0000
Zn2 Zn 4 0.35391 0.97935 0.07609 1.0000
Zn3 Zn 4 0.35929 0.48219 0.92775 1.0000
Zn4 Zn 4 0.57179 0.55502 0.35332 1.0000
#End 

data_16-crb2_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           VEJYEP
_cell_length_a                      9.819283
_cell_length_b                      14.58515
_cell_length_c                      14.62994
_cell_angle_alpha                   90
_cell_angle_beta                    98.67256
_cell_angle_gamma                   90
_cell_volume                        2071.282
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P 21/n'
_symmetry_Int_Tables_number         14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 4 0.51711 0.90858 0.84575 1.0000
N2 N 4 0.55470 0.89508 0.70418 1.0000
N3 N 4 0.58084 0.81692 0.74368 1.0000
N4 N 4 0.61708 0.18491 0.51932 1.0000
N5 N 4 0.69677 0.13427 0.65604 1.0000
N6 N 4 0.05610 0.03796 0.62014 1.0000
N7 N 4 0.55785 0.28414 0.91697 1.0000
N8 N 4 0.17604 0.00666 0.65400 1.0000
N9 N 4 0.18451 0.15431 0.66673 1.0000
N10 N 4 0.51406 0.15424 0.55529 1.0000
N11 N 4 0.41744 0.16900 0.90972 1.0000
N12 N 4 0.56898 0.23983 0.84243 1.0000
N13 N 4 0.55767 0.82550 0.83080 1.0000
N14 N 4 0.51558 0.95134 0.76729 1.0000
N15 N 4 0.72948 0.17240 0.58166 1.0000
N16 N 4 0.06193 0.12883 0.62817 1.0000
N17 N 4 0.46439 0.24033 0.95813 1.0000
N18 N 4 0.25483 0.07868 0.68258 1.0000
N19 N 4 0.48243 0.16891 0.83830 1.0000
N20 N 4 0.56378 0.12321 0.63951 1.0000
Zn1 Zn 4 0.45497 0.07859 0.73566 1.0000
Zn2 Zn 4 0.58202 0.72054 0.92050 1.0000
#End 

data_17-4,4L37_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           CUIMDZ02
_cell_length_a                      19.0884
_cell_length_b                      18.21283
_cell_length_c                      9.426107
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        3277.022
_cell_formula_units_Z               20
_symmetry_space_group_name_H-M      'C c c a'
_symmetry_Int_Tables_number         68
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,z
3 1/2+x,-y,1/2-z
4 -x,y,1/2-z
5 -x,-y,-z
6 1/2+x,y,-z
7 1/2-x,y,1/2+z
8 x,-y,1/2+z
9 1/2+x,1/2+y,z
10 -x,1/2-y,z
11 x,1/2-y,1/2-z
12 1/2-x,1/2+y,1/2-z
13 1/2-x,1/2-y,-z
14 x,1/2+y,-z
15 -x,1/2+y,1/2+z
16 1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 16 0.92068 0.32218 0.98851 1.0000
N2 N 16 0.97388 0.32414 0.90254 1.0000
N3 N 16 0.93600 0.36767 0.09108 1.0000
N4 N 16 0.02233 0.37036 0.95165 1.0000
N5 N 16 0.99839 0.39751 0.06858 1.0000
N6 N 16 0.86443 0.49637 0.95926 1.0000
N7 N 16 0.84144 0.49419 0.08937 1.0000
N8 N 16 0.84399 0.55940 0.90945 1.0000
N9 N 16 0.80719 0.55581 0.11992 1.0000
N10 N 16 0.80864 0.59633 0.00800 1.0000
N11 N 16 0.80779 0.30609 0.22999 1.0000
N12 N 8 0.84903 0.25000 0.25000 1.0000
N13 N 16 0.74124 0.28489 0.23802 1.0000
Zn1 Zn 4 0.00000 0.25000 0.75000 1.0000
Zn2 Zn 16 0.85534 0.40467 0.21180 1.0000
#End 

data_18-cag_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           IMIDZB11
_cell_length_a                      15.32422
_cell_length_b                      15.34115
_cell_length_c                      17.56315
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        4128.941
_cell_formula_units_Z               16
_symmetry_space_group_name_H-M      'P b c a'
_symmetry_Int_Tables_number         61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-z
5 -x,-y,-z
6 1/2+x,y,1/2-z
7 1/2-x,1/2+y,z
8 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 8 0.17190 0.32529 0.11228 1.0000
N2 N 8 0.06517 0.25447 0.15009 1.0000
N3 N 8 0.14999 0.25245 0.14557 1.0000
N4 N 8 0.03468 0.32813 0.11979 1.0000
N5 N 8 0.10104 0.37216 0.09629 1.0000
N6 N 8 0.33750 0.45637 0.15470 1.0000
N7 N 8 0.41751 0.55619 0.19278 1.0000
N8 N 8 0.40456 0.50377 0.13538 1.0000
N9 N 8 0.35869 0.54146 0.24724 1.0000
N10 N 8 0.30913 0.47925 0.22363 1.0000
N11 N 8 0.36387 0.25442 0.13595 1.0000
N12 N 8 0.43703 0.18214 0.21252 1.0000
N13 N 8 0.41163 0.26138 0.19701 1.0000
N14 N 8 0.40506 0.12650 0.16144 1.0000
N15 N 8 0.35965 0.17147 0.11377 1.0000
N16 N 8 0.32836 0.37041 0.98429 1.0000
N17 N 8 0.40094 0.36892 0.88473 1.0000
N18 N 8 0.40604 0.35359 0.95758 1.0000
N19 N 8 0.32061 0.39497 0.86632 1.0000
N20 N 8 0.27553 0.39597 0.92823 1.0000
Zn1 Zn 8 0.29607 0.35493 0.09334 1.0000
Zn2 Zn 8 0.99629 0.15358 0.19059 1.0000
#End 

data_19-kat1_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           OFERUN08
_cell_length_a                      15.68606
_cell_length_b                      15.68606
_cell_length_c                      15.68969
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        3860.487
_cell_formula_units_Z               16
_symmetry_space_group_name_H-M      'P -4 2 c'
_symmetry_Int_Tables_number         112
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,1/2-z
4 -x,y,1/2-z
5 y,x,1/2+z
6 -y,-x,1/2+z
7 -y,x,-z
8 y,-x,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 8 0.66665 0.42162 0.51279 1.0000
N2 N 8 0.72619 0.42774 0.38849 1.0000
N3 N 8 0.68998 0.35437 0.39462 1.0000
N4 N 8 0.65350 0.35083 0.47125 1.0000
N5 N 8 0.71167 0.46893 0.46148 1.0000
N6 N 8 0.53407 0.13273 0.37565 1.0000
N7 N 8 0.66810 0.12049 0.40589 1.0000
N8 N 8 0.65141 0.06601 0.34678 1.0000
N9 N 8 0.56885 0.07378 0.32821 1.0000
N10 N 8 0.59567 0.16146 0.42342 1.0000
N11 N 8 0.63023 0.11765 0.63684 1.0000
N12 N 8 0.68234 0.23907 0.67657 1.0000
N13 N 8 0.70717 0.18303 0.73098 1.0000
N14 N 8 0.67467 0.10825 0.70651 1.0000
N15 N 8 0.63507 0.19864 0.61871 1.0000
N16 N 8 0.87026 0.00055 0.63559 1.0000
N17 N 8 0.78037 0.90492 0.59312 1.0000
N18 N 8 0.84307 0.90496 0.54008 1.0000
N19 N 8 0.89831 0.96393 0.56660 1.0000
N20 N 8 0.79756 0.96374 0.65192 1.0000
Zn1 Zn 2 0.00000 0.00000 0.50000 1.0000
Zn2 Zn 2 0.50000 0.00000 0.25000 1.0000
Zn3 Zn 4 0.72440 0.00000 0.75000 1.0000
Zn4 Zn 8 0.58761 0.25112 0.51328 1.0000
#End 

data_20-neb_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           EQOBUH
_cell_length_a                      14.95549
_cell_length_b                      10.21584
_cell_length_c                      12.65008
_cell_angle_alpha                   80.93518
_cell_angle_beta                    42.41936
_cell_angle_gamma                   56.64545
_cell_volume                        977.4947
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.56775 0.86109 0.43964 1.0000
N2 N 1 0.38891 0.68225 0.11848 1.0000
N3 N 1 0.13152 0.43964 0.86109 1.0000
N4 N 1 0.81036 0.11848 0.68225 1.0000
N5 N 1 0.20351 0.00005 0.61635 1.0000
N6 N 1 0.24995 0.04649 0.06992 1.0000
N7 N 1 0.18008 0.61635 0.00005 1.0000
N8 N 1 0.63365 0.06992 0.04649 1.0000
N9 N 1 0.97858 0.04558 0.76422 1.0000
N10 N 1 0.20442 0.27142 0.03838 1.0000
N11 N 1 0.21162 0.76422 0.04558 1.0000
N12 N 1 0.48578 0.03838 0.27142 1.0000
N13 N 1 0.83000 0.66690 0.27162 1.0000
N14 N 1 0.58310 0.42000 0.01852 1.0000
N15 N 1 0.23148 0.27162 0.66690 1.0000
N16 N 1 0.97838 0.01852 0.42000 1.0000
N17 N 1 0.23813 0.84854 0.61382 1.0000
N18 N 1 0.40146 0.01187 0.95049 1.0000
N19 N 1 0.29951 0.61382 0.84854 1.0000
N20 N 1 0.63618 0.95049 0.01187 1.0000
N21 N 1 0.09836 0.87678 0.70555 1.0000
N22 N 1 0.37322 0.15164 0.93069 1.0000
N23 N 1 0.31931 0.70555 0.87678 1.0000
N24 N 1 0.54445 0.93069 0.15164 1.0000
N25 N 1 0.04307 0.12229 0.70911 1.0000
N26 N 1 0.12771 0.20693 0.12447 1.0000
N27 N 1 0.12553 0.70911 0.12229 1.0000
N28 N 1 0.54089 0.12447 0.20693 1.0000
N29 N 1 0.57727 0.82389 0.53830 1.0000
N30 N 1 0.42611 0.67273 0.18946 1.0000
N31 N 1 0.06054 0.53830 0.82389 1.0000
N32 N 1 0.71170 0.18946 0.67273 1.0000
N33 N 1 0.74031 0.70306 0.43396 1.0000
N34 N 1 0.54694 0.50969 0.12733 1.0000
N35 N 1 0.12267 0.43396 0.70306 1.0000
N36 N 1 0.81604 0.12733 0.50969 1.0000
N37 N 1 0.72380 0.76431 0.27474 1.0000
N38 N 1 0.48569 0.52620 0.01285 1.0000
N39 N 1 0.23715 0.27474 0.76431 1.0000
N40 N 1 0.97526 0.01285 0.52620 1.0000
Zn1 Zn 1 0.36395 0.04450 0.50392 1.0000
Zn2 Zn 1 0.20550 0.88605 0.16237 1.0000
Zn3 Zn 1 0.08763 0.50392 0.04450 1.0000
Zn4 Zn 1 0.74608 0.16237 0.88605 1.0000
#End 

data_21-dia_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           OFERUN01
_cell_length_a                      16.38752
_cell_length_b                      7.81097
_cell_length_c                      14.98104
_cell_angle_alpha                   90
_cell_angle_beta                    108.495
_cell_angle_gamma                   90
_cell_volume                        1818.567
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P 21/c'
_symmetry_Int_Tables_number         14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 4 0.27304 0.85523 0.20095 1.0000
N2 N 4 0.18356 0.70689 0.23720 1.0000
N3 N 4 0.31040 0.04360 0.03709 1.0000
N4 N 4 0.21935 0.05860 0.90470 1.0000
N5 N 4 0.43611 0.11385 0.26004 1.0000
N6 N 4 0.53645 0.27588 0.32925 1.0000
N7 N 4 0.06562 0.32217 0.21197 1.0000
N8 N 4 0.96647 0.14487 0.18354 1.0000
N9 N 4 0.25696 0.69884 0.22061 1.0000
N10 N 4 0.15467 0.86771 0.22821 1.0000
N11 N 4 0.21010 0.95961 0.20543 1.0000
N12 N 4 0.25917 0.95043 0.97038 1.0000
N13 N 4 0.24573 0.21769 0.93054 1.0000
N14 N 4 0.30225 0.20849 0.01292 1.0000
N15 N 4 0.50132 0.19697 0.24956 1.0000
N16 N 4 0.49309 0.24192 0.38885 1.0000
N17 N 4 0.43079 0.14063 0.34588 1.0000
N18 N 4 0.01962 0.23152 0.25144 1.0000
N19 N 4 0.97949 0.18065 0.10214 1.0000
N20 N 4 0.04111 0.29118 0.11978 1.0000
Zn1 Zn 4 0.37093 0.94544 0.16278 1.0000
Zn2 Zn 4 0.12904 0.51694 0.28777 1.0000
#End 

data_22-lon_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           SIVGEL
_cell_length_a                      15.63506
_cell_length_b                      9.666062
_cell_length_c                      9.666062
_cell_angle_alpha                   58.4057
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        1244.302
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.94650 0.59265 0.92598 1.0000
N2 N 1 0.05350 0.07402 0.40735 1.0000
N3 N 1 0.55350 0.59265 0.92598 1.0000
N4 N 1 0.44650 0.07402 0.40735 1.0000
N5 N 1 0.18372 0.77002 0.55167 1.0000
N6 N 1 0.81628 0.44833 0.22998 1.0000
N7 N 1 0.31628 0.77002 0.55167 1.0000
N8 N 1 0.68372 0.44833 0.22998 1.0000
N9 N 1 0.02182 0.79644 0.31948 1.0000
N10 N 1 0.97818 0.68052 0.20356 1.0000
N11 N 1 0.47818 0.79644 0.31948 1.0000
N12 N 1 0.52182 0.68052 0.20356 1.0000
N13 N 1 0.20882 0.63323 0.68509 1.0000
N14 N 1 0.79118 0.31491 0.36677 1.0000
N15 N 1 0.29118 0.63323 0.68509 1.0000
N16 N 1 0.70882 0.31491 0.36677 1.0000
N17 N 1 0.99074 0.70646 0.68916 1.0000
N18 N 1 0.00926 0.31084 0.29354 1.0000
N19 N 1 0.50926 0.70646 0.68916 1.0000
N20 N 1 0.49074 0.31084 0.29354 1.0000
N21 N 1 0.91722 0.63371 0.69446 1.0000
N22 N 1 0.08278 0.30554 0.36629 1.0000
N23 N 1 0.58278 0.63371 0.69446 1.0000
N24 N 1 0.41722 0.30554 0.36629 1.0000
N25 N 1 0.25000 0.85488 0.46870 1.0000
N26 N 1 0.75000 0.53130 0.14512 1.0000
N27 N 1 0.00906 0.68132 0.83213 1.0000
N28 N 1 0.99094 0.16787 0.31868 1.0000
N29 N 1 0.49094 0.68132 0.83213 1.0000
N30 N 1 0.50906 0.16787 0.31868 1.0000
N31 N 1 0.88976 0.56280 0.84174 1.0000
N32 N 1 0.11024 0.15826 0.43720 1.0000
N33 N 1 0.61024 0.56280 0.84174 1.0000
N34 N 1 0.38976 0.15826 0.43720 1.0000
N35 N 1 0.01361 0.90971 0.16233 1.0000
N36 N 1 0.98639 0.83767 0.09029 1.0000
N37 N 1 0.48639 0.90971 0.16233 1.0000
N38 N 1 0.51361 0.83767 0.09029 1.0000
N39 N 1 0.00000 0.65460 0.34540 1.0000
N40 N 1 0.50000 0.65460 0.34540 1.0000
Zn1 Zn 1 0.06210 0.83764 0.49052 1.0000
Zn2 Zn 1 0.93790 0.50948 0.16236 1.0000
Zn3 Zn 1 0.43790 0.83764 0.49052 1.0000
Zn4 Zn 1 0.56210 0.50948 0.16236 1.0000
#End 

data_23-sod_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           OFERUN03
_cell_length_a                      14.33642
_cell_length_b                      14.33642
_cell_length_c                      14.33642
_cell_angle_alpha                   109.4712
_cell_angle_beta                    109.4712
_cell_angle_gamma                   109.4712
_cell_volume                        2268.297
_cell_formula_units_Z               6
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.61305 0.24315 0.61305 1.0000
N2 N 1 0.36990 0.36990 0.75685 1.0000
N3 N 1 0.00000 0.63010 0.38695 1.0000
N4 N 1 0.00000 0.38695 0.63010 1.0000
N5 N 1 0.61305 0.61305 0.24315 1.0000
N6 N 1 0.24315 0.61305 0.61305 1.0000
N7 N 1 0.63010 0.00000 0.38695 1.0000
N8 N 1 0.75685 0.36990 0.36990 1.0000
N9 N 1 0.38695 0.63010 0.00000 1.0000
N10 N 1 0.36990 0.75685 0.36990 1.0000
N11 N 1 0.63010 0.38695 0.00000 1.0000
N12 N 1 0.38695 0.00000 0.63010 1.0000
N13 N 1 0.79113 0.31853 0.73611 1.0000
N14 N 1 0.41757 0.47260 0.68147 1.0000
N15 N 1 0.05503 0.58243 0.26389 1.0000
N16 N 1 0.94497 0.20887 0.52740 1.0000
N17 N 1 0.73611 0.31853 0.79113 1.0000
N18 N 1 0.79113 0.73611 0.31853 1.0000
N19 N 1 0.31853 0.73611 0.79113 1.0000
N20 N 1 0.94497 0.52740 0.20887 1.0000
N21 N 1 0.52740 0.94497 0.20887 1.0000
N22 N 1 0.68147 0.41757 0.47260 1.0000
N23 N 1 0.20887 0.52740 0.94497 1.0000
N24 N 1 0.47260 0.41757 0.68147 1.0000
N25 N 1 0.05503 0.26389 0.58243 1.0000
N26 N 1 0.58243 0.05503 0.26389 1.0000
N27 N 1 0.31853 0.79113 0.73611 1.0000
N28 N 1 0.47260 0.68147 0.41757 1.0000
N29 N 1 0.73611 0.79113 0.31853 1.0000
N30 N 1 0.58243 0.26389 0.05503 1.0000
N31 N 1 0.41757 0.68147 0.47260 1.0000
N32 N 1 0.26389 0.58243 0.05503 1.0000
N33 N 1 0.68147 0.47260 0.41757 1.0000
N34 N 1 0.26389 0.05503 0.58243 1.0000
N35 N 1 0.20887 0.94497 0.52740 1.0000
N36 N 1 0.52740 0.20887 0.94497 1.0000
N37 N 1 0.71499 0.27209 0.62650 1.0000
N38 N 1 0.35441 0.44290 0.72791 1.0000
N39 N 1 0.08849 0.64559 0.37350 1.0000
N40 N 1 0.91151 0.28501 0.55710 1.0000
N41 N 1 0.62650 0.27209 0.71499 1.0000
N42 N 1 0.71499 0.62650 0.27209 1.0000
N43 N 1 0.27209 0.62650 0.71499 1.0000
N44 N 1 0.91151 0.55710 0.28501 1.0000
N45 N 1 0.55710 0.91151 0.28501 1.0000
N46 N 1 0.72791 0.35441 0.44290 1.0000
N47 N 1 0.28501 0.55710 0.91151 1.0000
N48 N 1 0.44290 0.35441 0.72791 1.0000
N49 N 1 0.08849 0.37350 0.64559 1.0000
N50 N 1 0.64559 0.08849 0.37350 1.0000
N51 N 1 0.27209 0.71499 0.62650 1.0000
N52 N 1 0.44290 0.72791 0.35441 1.0000
N53 N 1 0.62650 0.71499 0.27209 1.0000
N54 N 1 0.64559 0.37350 0.08849 1.0000
N55 N 1 0.35441 0.72791 0.44290 1.0000
N56 N 1 0.37350 0.64559 0.08849 1.0000
N57 N 1 0.72791 0.44290 0.35441 1.0000
N58 N 1 0.37350 0.08849 0.64559 1.0000
N59 N 1 0.28501 0.91151 0.55710 1.0000
N60 N 1 0.55710 0.28501 0.91151 1.0000
Zn1 Zn 1 0.75000 0.25000 0.50000 1.0000
Zn2 Zn 1 0.25000 0.50000 0.75000 1.0000
Zn3 Zn 1 0.25000 0.75000 0.50000 1.0000
Zn4 Zn 1 0.50000 0.25000 0.75000 1.0000
Zn5 Zn 1 0.75000 0.50000 0.25000 1.0000
Zn6 Zn 1 0.50000 0.75000 0.25000 1.0000
#End 

data_24-hcb_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           CAYSEB
_cell_length_a                      7.388536
_cell_length_b                      9.818039
_cell_length_c                      13.3632
_cell_angle_alpha                   90
_cell_angle_beta                    116.1294
_cell_angle_gamma                   90
_cell_volume                        870.3106
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 21/c'
_symmetry_Int_Tables_number         14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 4 0.47116 0.93360 0.24267 1.0000
N2 N 4 0.27223 0.06384 0.98428 1.0000
N3 N 4 0.48530 0.80218 0.23437 1.0000
N4 N 4 0.42676 0.85073 0.37533 1.0000
N5 N 4 0.43494 0.96409 0.32935 1.0000
N6 N 4 0.10034 0.12193 0.96296 1.0000
N7 N 4 0.26708 0.02278 0.88870 1.0000
N8 N 4 0.98940 0.11673 0.85460 1.0000
N9 N 4 0.09204 0.05564 0.80854 1.0000
N10 N 4 0.45752 0.75131 0.31636 1.0000
Zn1 Zn 4 0.50756 0.05787 0.13698 1.0000
#End 

data_25-can_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           PAJRUQ
_cell_length_a                      9.600691
_cell_length_b                      23.04108
_cell_length_c                      41.19614
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        9113.009
_cell_formula_units_Z               24
_symmetry_space_group_name_H-M      'P n m a'
_symmetry_Int_Tables_number         62
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,1/2-z
4 -x,1/2+y,-z
5 -x,-y,-z
6 1/2+x,y,1/2-z
7 1/2-x,1/2+y,1/2+z
8 x,1/2-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 8 0.75162 0.43973 0.94821 1.0000
N2 N 8 0.71743 0.39630 0.99158 1.0000
N3 N 8 0.75322 0.47641 0.87126 1.0000
N4 N 8 0.75241 0.43212 0.82757 1.0000
N5 N 8 0.66499 0.56697 0.92782 1.0000
N6 N 8 0.48773 0.60923 0.94414 1.0000
N7 N 8 0.83201 0.42879 0.06366 1.0000
N8 N 8 0.00914 0.47103 0.07997 1.0000
N9 N 8 0.66008 0.39267 0.75543 1.0000
N10 N 8 0.48463 0.39306 0.72613 1.0000
N11 N 8 0.75275 0.29491 0.04772 1.0000
N12 N 8 0.77719 0.29500 0.80612 1.0000
N13 N 8 0.76653 0.44459 0.97957 1.0000
N14 N 8 0.67224 0.36184 0.96779 1.0000
N15 N 8 0.69347 0.38883 0.94085 1.0000
N16 N 8 0.81149 0.43318 0.85603 1.0000
N17 N 8 0.65808 0.47449 0.82517 1.0000
N18 N 8 0.65856 0.50202 0.85233 1.0000
N19 N 8 0.54701 0.55840 0.94278 1.0000
N20 N 8 0.56847 0.64907 0.93011 1.0000
N21 N 8 0.67871 0.62276 0.91999 1.0000
N22 N 8 0.96272 0.43774 0.05675 1.0000
N23 N 8 0.90772 0.48256 0.10112 1.0000
N24 N 8 0.79760 0.45629 0.09099 1.0000
N25 N 8 0.53852 0.36832 0.75170 1.0000
N26 N 8 0.57228 0.43250 0.71415 1.0000
N27 N 8 0.68135 0.43223 0.73237 1.0000
N28 N 4 0.69410 0.25000 0.03421 1.0000
N29 N 8 0.84688 0.27794 0.06958 1.0000
N30 N 4 0.80590 0.25000 0.78810 1.0000
N31 N 8 0.73080 0.27796 0.83511 1.0000
Zn1 Zn 8 0.79432 0.50256 0.91598 1.0000
Zn2 Zn 8 0.70456 0.37730 0.03869 1.0000
Zn3 Zn 8 0.79431 0.37746 0.79154 1.0000
#End 

data_26-dft_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           VEJYOZ
_cell_length_a                      18.74843
_cell_length_b                      18.74843
_cell_length_c                      16.08804
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        5655.006
_cell_formula_units_Z               16
_symmetry_space_group_name_H-M      'P 42/m n m'
_symmetry_Int_Tables_number         136
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,z
3 1/2+x,1/2-y,1/2-z
4 1/2-x,1/2+y,1/2-z
5 -y,-x,-z
6 y,x,-z
7 1/2+y,1/2-x,1/2+z
8 1/2-y,1/2+x,1/2+z
9 -x,-y,-z
10 x,y,-z
11 1/2-x,1/2+y,1/2+z
12 1/2+x,1/2-y,1/2+z
13 y,x,z
14 -y,-x,z
15 1/2-y,1/2+x,1/2-z
16 1/2+y,1/2-x,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 8 0.71187 0.28813 0.16807 1.0000
N2 N 16 0.64007 0.31135 0.26988 1.0000
N3 N 16 0.63444 0.03221 0.24478 1.0000
N4 N 16 0.69984 0.11017 0.30821 1.0000
N5 N 16 0.68128 0.10975 0.04007 1.0000
N6 N 8 0.59495 0.17815 0.00000 1.0000
N7 N 16 0.71726 0.04835 0.33670 1.0000
N8 N 16 0.65455 0.26733 0.20710 1.0000
N9 N 16 0.64883 0.09989 0.25171 1.0000
N10 N 16 0.62796 0.15195 0.06448 1.0000
N11 N 16 0.67685 0.00049 0.29745 1.0000
Zn1 Zn 16 0.60388 0.17639 0.18277 1.0000
#End 

data_27-dia2_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           HOKMUR
_cell_length_a                      19.04994
_cell_length_b                      13.1654
_cell_length_c                      9.962445
_cell_angle_alpha                   90
_cell_angle_beta                    91.90868
_cell_angle_gamma                   90
_cell_volume                        2497.196
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P c'
_symmetry_Int_Tables_number         7
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 x,-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 2 0.46404 0.69617 0.45132 1.0000
N2 N 2 0.41065 0.63683 0.45983 1.0000
N3 N 2 0.45375 0.77396 0.53399 1.0000
N4 N 2 0.36797 0.67846 0.54784 1.0000
N5 N 2 0.71895 0.80776 0.45446 1.0000
N6 N 2 0.66422 0.86509 0.45603 1.0000
N7 N 2 0.70617 0.72755 0.53161 1.0000
N8 N 2 0.61804 0.81990 0.53414 1.0000
N9 N 2 0.97695 0.68977 0.48933 1.0000
N10 N 2 0.92287 0.63119 0.48041 1.0000
N11 N 2 0.87144 0.67697 0.54486 1.0000
N12 N 2 0.95840 0.77128 0.55926 1.0000
N13 N 2 0.21850 0.80820 0.48511 1.0000
N14 N 2 0.12017 0.82542 0.57368 1.0000
N15 N 2 0.16535 0.86819 0.49137 1.0000
N16 N 2 0.20577 0.72868 0.56361 1.0000
N17 N 2 0.76132 0.59695 0.97192 1.0000
N18 N 2 0.76212 0.64608 0.86031 1.0000
N19 N 2 0.76806 0.57764 0.76239 1.0000
N20 N 2 0.76675 0.49853 0.94210 1.0000
N21 N 2 0.01548 0.00066 0.97868 1.0000
N22 N 2 0.26994 0.49851 0.96564 1.0000
N23 N 2 0.27527 0.57645 0.78577 1.0000
N24 N 2 0.54580 0.90825 0.97098 1.0000
N25 N 2 0.54776 0.85966 0.85912 1.0000
N26 N 2 0.52383 0.92253 0.76286 1.0000
N27 N 2 0.52054 0.00059 0.94303 1.0000
N28 N 2 0.39438 0.76326 0.59397 1.0000
N29 N 2 0.64375 0.73481 0.58113 1.0000
N30 N 2 0.14499 0.73911 0.61870 1.0000
N31 N 2 0.77096 0.48629 0.81262 1.0000
N32 N 2 0.89323 0.76365 0.59387 1.0000
N33 N 2 0.50701 0.00982 0.81433 1.0000
N34 N 2 0.01625 0.92278 0.79810 1.0000
N35 N 2 0.26046 0.48794 0.83608 1.0000
N36 N 2 0.00957 0.85380 0.89512 1.0000
N37 N 2 0.01996 0.01375 0.84944 1.0000
N38 N 2 0.29075 0.59282 0.99527 1.0000
N39 N 2 0.00909 0.90221 0.00732 1.0000
N40 N 2 0.29391 0.64138 0.88355 1.0000
Zn1 Zn 2 0.77610 0.61686 0.56964 1.0000
Zn2 Zn 2 0.02434 0.88386 0.60654 1.0000
Zn3 Zn 2 0.52394 0.88316 0.56968 1.0000
Zn4 Zn 2 0.27574 0.61691 0.59387 1.0000
#End 

data_28-bik_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           YOMBOS
_cell_length_a                      13.95479
_cell_length_b                      9.581575
_cell_length_c                      16.29477
_cell_angle_alpha                   90
_cell_angle_beta                    116.7461
_cell_angle_gamma                   90
_cell_volume                        1945.649
_cell_formula_units_Z               6
_symmetry_space_group_name_H-M      'P 21'
_symmetry_Int_Tables_number         4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 2 0.71928 0.10865 0.32874 1.0000
N2 N 2 0.62264 0.13473 0.26817 1.0000
N3 N 2 0.36380 0.39083 0.19155 1.0000
N4 N 2 0.27704 0.35188 0.19443 1.0000
N5 N 2 0.88228 0.28257 0.00177 1.0000
N6 N 2 0.38832 0.19326 0.91269 1.0000
N7 N 2 0.12700 0.09095 0.36574 1.0000
N8 N 2 0.16236 0.07975 0.30538 1.0000
N9 N 2 0.38746 0.08236 0.86766 1.0000
N10 N 2 0.83988 0.39331 0.95446 1.0000
N11 N 2 0.98844 0.11646 0.57762 1.0000
N12 N 2 0.01360 0.00440 0.62652 1.0000
N13 N 2 0.08677 0.13108 0.22678 1.0000
N14 N 2 0.00474 0.17416 0.23797 1.0000
N15 N 2 0.02987 0.14904 0.32386 1.0000
N16 N 2 0.98265 0.08283 0.49609 1.0000
N17 N 2 0.00391 0.95083 0.49400 1.0000
N18 N 2 0.02301 0.90272 0.57465 1.0000
N19 N 2 0.78422 0.18841 0.30861 1.0000
N20 N 2 0.72851 0.26390 0.23601 1.0000
N21 N 2 0.62877 0.23046 0.21129 1.0000
N22 N 2 0.46639 0.17764 0.99799 1.0000
N23 N 2 0.51395 0.05762 0.00625 1.0000
N24 N 2 0.46494 0.99901 0.92556 1.0000
N25 N 2 0.37750 0.30670 0.13250 1.0000
N26 N 2 0.29987 0.21566 0.09870 1.0000
N27 N 2 0.23809 0.24381 0.13724 1.0000
N28 N 2 0.98797 0.29205 0.03128 1.0000
N29 N 2 0.01159 0.40819 0.00261 1.0000
N30 N 2 0.91981 0.47055 0.95515 1.0000
Zn1 Zn 2 0.94192 0.20467 0.38687 1.0000
Zn2 Zn 2 0.50217 0.30870 0.10384 1.0000
Zn3 Zn 2 0.09886 0.15255 0.11018 1.0000
#End 

data_29-mer_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           VEJZIU
_cell_length_a                      26.47993
_cell_length_b                      26.47993
_cell_length_c                      20.99502
_cell_angle_alpha                   50.90382
_cell_angle_beta                    50.90382
_cell_angle_gamma                   90
_cell_volume                        6659.332
_cell_formula_units_Z               16
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.13863 0.87571 0.45844 1.0000
N2 N 1 0.33415 0.59707 0.54156 1.0000
N3 N 1 0.59707 0.12429 0.54156 1.0000
N4 N 1 0.66585 0.13863 0.45844 1.0000
N5 N 1 0.59707 0.33415 0.54156 1.0000
N6 N 1 0.86137 0.33415 0.54156 1.0000
N7 N 1 0.87571 0.13863 0.45844 1.0000
N8 N 1 0.12429 0.86137 0.54156 1.0000
N9 N 1 0.13863 0.66585 0.45844 1.0000
N10 N 1 0.87571 0.40293 0.45844 1.0000
N11 N 1 0.40293 0.87571 0.45844 1.0000
N12 N 1 0.40293 0.66585 0.45844 1.0000
N13 N 1 0.66585 0.40293 0.45844 1.0000
N14 N 1 0.86137 0.12429 0.54156 1.0000
N15 N 1 0.12429 0.59707 0.54156 1.0000
N16 N 1 0.33415 0.86137 0.54156 1.0000
N17 N 1 0.07631 0.92369 0.50000 1.0000
N18 N 1 0.42369 0.57631 0.50000 1.0000
N19 N 1 0.57631 0.07631 0.50000 1.0000
N20 N 1 0.57631 0.42369 0.50000 1.0000
N21 N 1 0.92369 0.42369 0.50000 1.0000
N22 N 1 0.92369 0.07631 0.50000 1.0000
N23 N 1 0.07631 0.57631 0.50000 1.0000
N24 N 1 0.42369 0.92369 0.50000 1.0000
N25 N 1 0.04446 0.04446 0.28691 1.0000
N26 N 1 0.33137 0.33137 0.71309 1.0000
N27 N 1 0.33137 0.95554 0.71309 1.0000
N28 N 1 0.66863 0.04446 0.28691 1.0000
N29 N 1 0.95554 0.33137 0.71309 1.0000
N30 N 1 0.95554 0.95554 0.71309 1.0000
N31 N 1 0.04446 0.66863 0.28691 1.0000
N32 N 1 0.66863 0.66863 0.28691 1.0000
N33 N 1 0.94281 0.90841 0.49795 1.0000
N34 N 1 0.40636 0.44076 0.50205 1.0000
N35 N 1 0.44076 0.09159 0.50205 1.0000
N36 N 1 0.59364 0.94281 0.49795 1.0000
N37 N 1 0.44076 0.40636 0.50205 1.0000
N38 N 1 0.05719 0.40636 0.50205 1.0000
N39 N 1 0.90841 0.94281 0.49795 1.0000
N40 N 1 0.09159 0.05719 0.50205 1.0000
N41 N 1 0.94281 0.59364 0.49795 1.0000
N42 N 1 0.90841 0.55924 0.49795 1.0000
N43 N 1 0.55924 0.90841 0.49795 1.0000
N44 N 1 0.55924 0.59364 0.49795 1.0000
N45 N 1 0.59364 0.55924 0.49795 1.0000
N46 N 1 0.05719 0.09159 0.50205 1.0000
N47 N 1 0.09159 0.44076 0.50205 1.0000
N48 N 1 0.40636 0.05719 0.50205 1.0000
N49 N 1 0.02604 0.85105 0.34650 1.0000
N50 N 1 0.19755 0.37254 0.65350 1.0000
N51 N 1 0.37254 0.14895 0.65350 1.0000
N52 N 1 0.80245 0.02604 0.34650 1.0000
N53 N 1 0.37254 0.19755 0.65350 1.0000
N54 N 1 0.97396 0.19755 0.65350 1.0000
N55 N 1 0.85105 0.02604 0.34650 1.0000
N56 N 1 0.14895 0.97396 0.65350 1.0000
N57 N 1 0.02604 0.80245 0.34650 1.0000
N58 N 1 0.85105 0.62746 0.34650 1.0000
N59 N 1 0.62746 0.85105 0.34650 1.0000
N60 N 1 0.62746 0.80245 0.34650 1.0000
N61 N 1 0.80245 0.62746 0.34650 1.0000
N62 N 1 0.97396 0.14895 0.65350 1.0000
N63 N 1 0.14895 0.37254 0.65350 1.0000
N64 N 1 0.19755 0.97396 0.65350 1.0000
N65 N 1 0.12067 0.84431 0.31139 1.0000
N66 N 1 0.15569 0.43205 0.68861 1.0000
N67 N 1 0.43205 0.15569 0.68861 1.0000
N68 N 1 0.84431 0.12067 0.31139 1.0000
N69 N 1 0.87933 0.15569 0.68861 1.0000
N70 N 1 0.15569 0.87933 0.68861 1.0000
N71 N 1 0.84431 0.56795 0.31139 1.0000
N72 N 1 0.56795 0.84431 0.31139 1.0000
N73 N 1 0.26565 0.10344 0.00000 1.0000
N74 N 1 0.10344 0.26565 0.00000 1.0000
N75 N 1 0.26565 0.89656 0.00000 1.0000
N76 N 1 0.89656 0.26565 0.00000 1.0000
N77 N 1 0.73435 0.10344 0.00000 1.0000
N78 N 1 0.89656 0.73435 0.00000 1.0000
N79 N 1 0.10344 0.73435 0.00000 1.0000
N80 N 1 0.73435 0.89656 0.00000 1.0000
N81 N 1 0.10891 0.91404 0.43326 1.0000
N82 N 1 0.34730 0.54217 0.56674 1.0000
N83 N 1 0.54217 0.08596 0.56674 1.0000
N84 N 1 0.65270 0.10891 0.43326 1.0000
N85 N 1 0.54217 0.34730 0.56674 1.0000
N86 N 1 0.89109 0.34730 0.56674 1.0000
N87 N 1 0.91404 0.10891 0.43326 1.0000
N88 N 1 0.08596 0.89109 0.56674 1.0000
N89 N 1 0.10891 0.65270 0.43326 1.0000
N90 N 1 0.91404 0.45783 0.43326 1.0000
N91 N 1 0.45783 0.91404 0.43326 1.0000
N92 N 1 0.45783 0.65270 0.43326 1.0000
N93 N 1 0.65270 0.45783 0.43326 1.0000
N94 N 1 0.89109 0.08596 0.56674 1.0000
N95 N 1 0.08596 0.54217 0.56674 1.0000
N96 N 1 0.34730 0.89109 0.56674 1.0000
N97 N 1 0.02654 0.97121 0.36782 1.0000
N98 N 1 0.33903 0.39436 0.63218 1.0000
N99 N 1 0.39436 0.02879 0.63218 1.0000
N100 N 1 0.66097 0.02654 0.36782 1.0000
N101 N 1 0.39436 0.33903 0.63218 1.0000
N102 N 1 0.97346 0.33903 0.63218 1.0000
N103 N 1 0.97121 0.02654 0.36782 1.0000
N104 N 1 0.02879 0.97346 0.63218 1.0000
N105 N 1 0.02654 0.66097 0.36782 1.0000
N106 N 1 0.97121 0.60564 0.36782 1.0000
N107 N 1 0.60564 0.97121 0.36782 1.0000
N108 N 1 0.60564 0.66097 0.36782 1.0000
N109 N 1 0.66097 0.60564 0.36782 1.0000
N110 N 1 0.97346 0.02879 0.63218 1.0000
N111 N 1 0.02879 0.39436 0.63218 1.0000
N112 N 1 0.33903 0.97346 0.63218 1.0000
N113 N 1 0.08437 0.87663 0.32497 1.0000
N114 N 1 0.20160 0.40933 0.67503 1.0000
N115 N 1 0.40933 0.12337 0.67503 1.0000
N116 N 1 0.79840 0.08437 0.32497 1.0000
N117 N 1 0.40933 0.20160 0.67503 1.0000
N118 N 1 0.91563 0.20160 0.67503 1.0000
N119 N 1 0.87663 0.08437 0.32497 1.0000
N120 N 1 0.12337 0.91563 0.67503 1.0000
N121 N 1 0.08437 0.79840 0.32497 1.0000
N122 N 1 0.87663 0.59067 0.32497 1.0000
N123 N 1 0.59067 0.87663 0.32497 1.0000
N124 N 1 0.59067 0.79840 0.32497 1.0000
N125 N 1 0.79840 0.59067 0.32497 1.0000
N126 N 1 0.91563 0.12337 0.67503 1.0000
N127 N 1 0.12337 0.40933 0.67503 1.0000
N128 N 1 0.20160 0.91563 0.67503 1.0000
N129 N 1 0.23061 0.07154 0.10911 1.0000
N130 N 1 0.18065 0.33972 0.89089 1.0000
N131 N 1 0.33972 0.92846 0.89089 1.0000
N132 N 1 0.81935 0.23061 0.10911 1.0000
N133 N 1 0.33972 0.18065 0.89089 1.0000
N134 N 1 0.76939 0.18065 0.89089 1.0000
N135 N 1 0.07154 0.23061 0.10911 1.0000
N136 N 1 0.92846 0.76939 0.89089 1.0000
N137 N 1 0.23061 0.81935 0.10911 1.0000
N138 N 1 0.07154 0.66028 0.10911 1.0000
N139 N 1 0.66028 0.07154 0.10911 1.0000
N140 N 1 0.66028 0.81935 0.10911 1.0000
N141 N 1 0.81935 0.66028 0.10911 1.0000
N142 N 1 0.76939 0.92846 0.89089 1.0000
N143 N 1 0.92846 0.33972 0.89089 1.0000
N144 N 1 0.18065 0.76939 0.89089 1.0000
N145 N 1 0.28263 0.12866 0.06781 1.0000
N146 N 1 0.19647 0.35045 0.93219 1.0000
N147 N 1 0.35045 0.87134 0.93219 1.0000
N148 N 1 0.80353 0.28263 0.06781 1.0000
N149 N 1 0.35045 0.19647 0.93219 1.0000
N150 N 1 0.71737 0.19647 0.93219 1.0000
N151 N 1 0.12866 0.28263 0.06781 1.0000
N152 N 1 0.87134 0.71737 0.93219 1.0000
N153 N 1 0.28263 0.80353 0.06781 1.0000
N154 N 1 0.12866 0.64955 0.06781 1.0000
N155 N 1 0.64955 0.12866 0.06781 1.0000
N156 N 1 0.64955 0.80353 0.06781 1.0000
N157 N 1 0.80353 0.64955 0.06781 1.0000
N158 N 1 0.71737 0.87134 0.93219 1.0000
N159 N 1 0.87134 0.35045 0.93219 1.0000
N160 N 1 0.19647 0.71737 0.93219 1.0000
Zn1 Zn 1 0.11317 0.95623 0.30960 1.0000
Zn2 Zn 1 0.26583 0.42277 0.69040 1.0000
Zn3 Zn 1 0.42277 0.04377 0.69040 1.0000
Zn4 Zn 1 0.73417 0.11317 0.30960 1.0000
Zn5 Zn 1 0.42277 0.26583 0.69040 1.0000
Zn6 Zn 1 0.88683 0.26583 0.69040 1.0000
Zn7 Zn 1 0.95623 0.11317 0.30960 1.0000
Zn8 Zn 1 0.04377 0.88683 0.69040 1.0000
Zn9 Zn 1 0.11317 0.73417 0.30960 1.0000
Zn10 Zn 1 0.95623 0.57723 0.30960 1.0000
Zn11 Zn 1 0.57723 0.95623 0.30960 1.0000
Zn12 Zn 1 0.57723 0.73417 0.30960 1.0000
Zn13 Zn 1 0.73417 0.57723 0.30960 1.0000
Zn14 Zn 1 0.88683 0.04377 0.69040 1.0000
Zn15 Zn 1 0.04377 0.42277 0.69040 1.0000
Zn16 Zn 1 0.26583 0.88683 0.69040 1.0000
#End 

data_30-dia3_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           SIVGOV
_cell_length_a                      9.503263
_cell_length_b                      9.503263
_cell_length_c                      9.543764
_cell_angle_alpha                   119.3534
_cell_angle_beta                    119.3534
_cell_angle_gamma                   89.53699
_cell_volume                        623.4685
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.59601 0.09088 0.00302 1.0000
N2 N 1 0.09088 0.59601 0.50302 1.0000
N3 N 1 0.69423 0.35241 0.19014 1.0000
N4 N 1 0.35241 0.69423 0.69014 1.0000
N5 N 1 0.89556 0.78170 0.89876 1.0000
N6 N 1 0.78170 0.89556 0.39876 1.0000
N7 N 1 0.82799 0.68507 0.61513 1.0000
N8 N 1 0.68507 0.82799 0.11513 1.0000
N9 N 1 0.95140 0.72213 0.78897 1.0000
N10 N 1 0.72213 0.95140 0.28897 1.0000
N11 N 1 0.47277 0.14840 0.01937 1.0000
N12 N 1 0.14840 0.47277 0.51937 1.0000
N13 N 1 0.73324 0.21668 0.10868 1.0000
N14 N 1 0.21668 0.73324 0.60868 1.0000
N15 N 1 0.69593 0.72124 0.61616 1.0000
N16 N 1 0.72124 0.69593 0.11616 1.0000
N17 N 1 0.73819 0.78098 0.79174 1.0000
N18 N 1 0.78098 0.73819 0.29174 1.0000
N19 N 1 0.53369 0.31084 0.13536 1.0000
N20 N 1 0.31084 0.53369 0.63536 1.0000
Zn1 Zn 1 0.84878 0.58939 0.38816 1.0000
Zn2 Zn 1 0.58939 0.84878 0.88816 1.0000
#End 

data_31-mer2_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           GUPCAW
_cell_length_a                      26.67214
_cell_length_b                      26.67214
_cell_length_c                      21.06423
_cell_angle_alpha                   50.71972
_cell_angle_beta                    50.71972
_cell_angle_gamma                   90
_cell_volume                        6673.564
_cell_formula_units_Z               16
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.09853 0.64762 0.44435 1.0000
N2 N 1 0.54288 0.09197 0.55565 1.0000
N3 N 1 0.90147 0.35238 0.55565 1.0000
N4 N 1 0.35238 0.54288 0.55565 1.0000
N5 N 1 0.09197 0.90147 0.55565 1.0000
N6 N 1 0.64762 0.45712 0.44435 1.0000
N7 N 1 0.90803 0.09853 0.44435 1.0000
N8 N 1 0.45712 0.90803 0.44435 1.0000
N9 N 1 0.07957 0.53905 0.57228 1.0000
N10 N 1 0.65185 0.11133 0.42772 1.0000
N11 N 1 0.92043 0.46095 0.42772 1.0000
N12 N 1 0.46095 0.65185 0.42772 1.0000
N13 N 1 0.11133 0.92043 0.42772 1.0000
N14 N 1 0.53905 0.34815 0.57228 1.0000
N15 N 1 0.88867 0.07957 0.57228 1.0000
N16 N 1 0.34815 0.88867 0.57228 1.0000
N17 N 1 0.93026 0.33873 0.88949 1.0000
N18 N 1 0.81975 0.22822 0.11051 1.0000
N19 N 1 0.06974 0.66127 0.11051 1.0000
N20 N 1 0.66127 0.81975 0.11051 1.0000
N21 N 1 0.22822 0.06974 0.11051 1.0000
N22 N 1 0.33873 0.18025 0.88949 1.0000
N23 N 1 0.77178 0.93026 0.88949 1.0000
N24 N 1 0.18025 0.77178 0.88949 1.0000
N25 N 1 0.12480 0.41049 0.67237 1.0000
N26 N 1 0.79718 0.08287 0.32763 1.0000
N27 N 1 0.87520 0.58951 0.32763 1.0000
N28 N 1 0.58951 0.79718 0.32763 1.0000
N29 N 1 0.08287 0.87520 0.32763 1.0000
N30 N 1 0.41049 0.20282 0.67237 1.0000
N31 N 1 0.91713 0.12480 0.67237 1.0000
N32 N 1 0.20282 0.91713 0.67237 1.0000
N33 N 1 0.20098 0.40822 0.67526 1.0000
N34 N 1 0.87624 0.08348 0.32474 1.0000
N35 N 1 0.79902 0.59178 0.32474 1.0000
N36 N 1 0.59178 0.87624 0.32474 1.0000
N37 N 1 0.08348 0.79902 0.32474 1.0000
N38 N 1 0.40822 0.12376 0.67526 1.0000
N39 N 1 0.91652 0.20098 0.67526 1.0000
N40 N 1 0.12376 0.91652 0.67526 1.0000
N41 N 1 0.22967 0.81983 0.11059 1.0000
N42 N 1 0.34025 0.93042 0.88941 1.0000
N43 N 1 0.77033 0.18017 0.88941 1.0000
N44 N 1 0.18017 0.34025 0.88941 1.0000
N45 N 1 0.93042 0.77033 0.88941 1.0000
N46 N 1 0.81983 0.65975 0.11059 1.0000
N47 N 1 0.06958 0.22967 0.11059 1.0000
N48 N 1 0.65975 0.06958 0.11059 1.0000
N49 N 1 0.97754 0.33622 0.63190 1.0000
N50 N 1 0.60944 0.96812 0.36810 1.0000
N51 N 1 0.02246 0.66378 0.36810 1.0000
N52 N 1 0.66378 0.60944 0.36810 1.0000
N53 N 1 0.96812 0.02246 0.36810 1.0000
N54 N 1 0.33622 0.39056 0.63190 1.0000
N55 N 1 0.03188 0.97754 0.63190 1.0000
N56 N 1 0.39056 0.03188 0.63190 1.0000
N57 N 1 0.03328 0.39271 0.62949 1.0000
N58 N 1 0.66277 0.02220 0.37051 1.0000
N59 N 1 0.96672 0.60729 0.37051 1.0000
N60 N 1 0.60729 0.66277 0.37051 1.0000
N61 N 1 0.02220 0.96672 0.37051 1.0000
N62 N 1 0.39271 0.33723 0.62949 1.0000
N63 N 1 0.97780 0.03328 0.62949 1.0000
N64 N 1 0.33723 0.97780 0.62949 1.0000
N65 N 1 0.08126 0.57892 0.49007 1.0000
N66 N 1 0.57132 0.06899 0.50993 1.0000
N67 N 1 0.91874 0.42108 0.50993 1.0000
N68 N 1 0.42108 0.57132 0.50993 1.0000
N69 N 1 0.06899 0.91874 0.50993 1.0000
N70 N 1 0.57892 0.42868 0.49007 1.0000
N71 N 1 0.93101 0.08126 0.49007 1.0000
N72 N 1 0.42868 0.93101 0.49007 1.0000
N73 N 1 0.89552 0.26201 0.00000 1.0000
N74 N 1 0.10448 0.73799 0.00000 1.0000
N75 N 1 0.73799 0.89552 0.00000 1.0000
N76 N 1 0.26201 0.10448 0.00000 1.0000
N77 N 1 0.87639 0.35234 0.93128 1.0000
N78 N 1 0.80767 0.28362 0.06872 1.0000
N79 N 1 0.12361 0.64766 0.06872 1.0000
N80 N 1 0.64766 0.80767 0.06872 1.0000
N81 N 1 0.28362 0.12361 0.06872 1.0000
N82 N 1 0.35234 0.19233 0.93128 1.0000
N83 N 1 0.71638 0.87639 0.93128 1.0000
N84 N 1 0.19233 0.71638 0.93128 1.0000
N85 N 1 0.15961 0.43541 0.68094 1.0000
N86 N 1 0.84054 0.11635 0.31906 1.0000
N87 N 1 0.84039 0.56459 0.31906 1.0000
N88 N 1 0.56459 0.84054 0.31906 1.0000
N89 N 1 0.11635 0.84039 0.31906 1.0000
N90 N 1 0.43541 0.15946 0.68094 1.0000
N91 N 1 0.88365 0.15961 0.68094 1.0000
N92 N 1 0.15946 0.88365 0.68094 1.0000
N93 N 1 0.26053 0.89196 0.00000 1.0000
N94 N 1 0.73947 0.10804 0.00000 1.0000
N95 N 1 0.10804 0.26053 0.00000 1.0000
N96 N 1 0.89196 0.73947 0.00000 1.0000
N97 N 1 0.28992 0.81370 0.06874 1.0000
N98 N 1 0.35867 0.88244 0.93126 1.0000
N99 N 1 0.71008 0.18630 0.93126 1.0000
N100 N 1 0.18630 0.35867 0.93126 1.0000
N101 N 1 0.88244 0.71008 0.93126 1.0000
N102 N 1 0.81370 0.64133 0.06874 1.0000
N103 N 1 0.11756 0.28992 0.06874 1.0000
N104 N 1 0.64133 0.11756 0.06874 1.0000
N105 N 1 0.95842 0.33470 0.70773 1.0000
N106 N 1 0.66615 0.04243 0.29227 1.0000
N107 N 1 0.04158 0.66530 0.29227 1.0000
N108 N 1 0.66530 0.66615 0.29227 1.0000
N109 N 1 0.04243 0.04158 0.29227 1.0000
N110 N 1 0.33470 0.33385 0.70773 1.0000
N111 N 1 0.95757 0.95842 0.70773 1.0000
N112 N 1 0.33385 0.95757 0.70773 1.0000
N113 N 1 0.06360 0.39481 0.50753 1.0000
N114 N 1 0.57114 0.90234 0.49247 1.0000
N115 N 1 0.93640 0.60519 0.49247 1.0000
N116 N 1 0.60519 0.57114 0.49247 1.0000
N117 N 1 0.90234 0.93640 0.49247 1.0000
N118 N 1 0.39481 0.42886 0.50753 1.0000
N119 N 1 0.09766 0.06360 0.50753 1.0000
N120 N 1 0.42886 0.09766 0.50753 1.0000
N121 N 1 0.09826 0.42992 0.50607 1.0000
N122 N 1 0.60433 0.93599 0.49393 1.0000
N123 N 1 0.90174 0.57008 0.49393 1.0000
N124 N 1 0.57008 0.60433 0.49393 1.0000
N125 N 1 0.93599 0.90174 0.49393 1.0000
N126 N 1 0.42992 0.39567 0.50607 1.0000
N127 N 1 0.06401 0.09826 0.50607 1.0000
N128 N 1 0.39567 0.06401 0.50607 1.0000
N129 N 1 0.85585 0.63223 0.33783 1.0000
N130 N 1 0.19368 0.97006 0.66217 1.0000
N131 N 1 0.14415 0.36777 0.66217 1.0000
N132 N 1 0.36777 0.19368 0.66217 1.0000
N133 N 1 0.97006 0.14415 0.66217 1.0000
N134 N 1 0.63223 0.80632 0.33783 1.0000
N135 N 1 0.02994 0.85585 0.33783 1.0000
N136 N 1 0.80632 0.02994 0.33783 1.0000
N137 N 1 0.80850 0.63359 0.33612 1.0000
N138 N 1 0.14462 0.96971 0.66388 1.0000
N139 N 1 0.19150 0.36641 0.66388 1.0000
N140 N 1 0.36641 0.14462 0.66388 1.0000
N141 N 1 0.96971 0.19150 0.66388 1.0000
N142 N 1 0.63359 0.85538 0.33612 1.0000
N143 N 1 0.03029 0.80850 0.33612 1.0000
N144 N 1 0.85538 0.03029 0.33612 1.0000
N145 N 1 0.89266 0.34979 0.50192 1.0000
N146 N 1 0.39458 0.85171 0.49808 1.0000
N147 N 1 0.10734 0.65021 0.49808 1.0000
N148 N 1 0.65021 0.39458 0.49808 1.0000
N149 N 1 0.85171 0.10734 0.49808 1.0000
N150 N 1 0.34979 0.60542 0.50192 1.0000
N151 N 1 0.14829 0.89266 0.50192 1.0000
N152 N 1 0.60542 0.14829 0.50192 1.0000
N153 N 1 0.90459 0.41736 0.42221 1.0000
N154 N 1 0.32680 0.83958 0.57779 1.0000
N155 N 1 0.09541 0.58264 0.57779 1.0000
N156 N 1 0.58264 0.32680 0.57779 1.0000
N157 N 1 0.83958 0.09541 0.57779 1.0000
N158 N 1 0.41736 0.67320 0.42221 1.0000
N159 N 1 0.16042 0.90459 0.42221 1.0000
N160 N 1 0.67320 0.16042 0.42221 1.0000
Zn1 Zn 1 0.04663 0.42385 0.68554 1.0000
Zn2 Zn 1 0.73216 0.10938 0.31446 1.0000
Zn3 Zn 1 0.95337 0.57615 0.31446 1.0000
Zn4 Zn 1 0.57615 0.73216 0.31446 1.0000
Zn5 Zn 1 0.10938 0.95337 0.31446 1.0000
Zn6 Zn 1 0.42385 0.26784 0.68554 1.0000
Zn7 Zn 1 0.89062 0.04663 0.68554 1.0000
Zn8 Zn 1 0.26784 0.89062 0.68554 1.0000
Zn9 Zn 1 0.10915 0.73317 0.31259 1.0000
Zn10 Zn 1 0.42175 0.04576 0.68741 1.0000
Zn11 Zn 1 0.89085 0.26683 0.68741 1.0000
Zn12 Zn 1 0.26683 0.42175 0.68741 1.0000
Zn13 Zn 1 0.04576 0.89085 0.68741 1.0000
Zn14 Zn 1 0.73317 0.57825 0.31259 1.0000
Zn15 Zn 1 0.95424 0.10915 0.31259 1.0000
Zn16 Zn 1 0.57825 0.95424 0.31259 1.0000
#End 

data_32-dia4_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           KEYSEO
_cell_length_a                      9.665467
_cell_length_b                      9.665467
_cell_length_c                      10.35533
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        967.408
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 43 21 2'
_symmetry_Int_Tables_number         96
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,1/2+z
3 1/2+x,1/2-y,1/4-z
4 1/2-x,1/2+y,3/4-z
5 -y,-x,1/2-z
6 y,x,-z
7 1/2+y,1/2-x,1/4+z
8 1/2-y,1/2+x,3/4+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 8 0.26892 0.77416 0.39374 1.0000
N2 N 8 0.20166 0.74079 0.50163 1.0000
N3 N 8 0.19436 0.95675 0.47253 1.0000
N4 N 8 0.15540 0.85429 0.55079 1.0000
N5 N 8 0.26456 0.90755 0.37542 1.0000
Zn1 Zn 4 0.34393 0.65607 0.25000 1.0000
#End 

data_33-gis_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           EQOCOC01
_cell_length_a                      18.04816
_cell_length_b                      18.04816
_cell_length_c                      16.20996
_cell_angle_alpha                   56.17213
_cell_angle_beta                    56.17213
_cell_angle_gamma                   90
_cell_volume                        3255.646
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.34514 0.50000 0.00000 1.0000
N2 N 1 0.34514 0.00000 0.00000 1.0000
N3 N 1 0.00000 0.84514 0.50000 1.0000
N4 N 1 0.50000 0.15486 0.50000 1.0000
N5 N 1 0.65486 0.00000 0.00000 1.0000
N6 N 1 0.50000 0.84514 0.50000 1.0000
N7 N 1 0.00000 0.15486 0.50000 1.0000
N8 N 1 0.65486 0.50000 0.00000 1.0000
N9 N 1 0.22881 0.12528 0.24944 1.0000
N10 N 1 0.37472 0.97825 0.25056 1.0000
N11 N 1 0.62528 0.02175 0.74944 1.0000
N12 N 1 0.47825 0.87472 0.75056 1.0000
N13 N 1 0.52175 0.12528 0.24944 1.0000
N14 N 1 0.37472 0.27119 0.25056 1.0000
N15 N 1 0.77119 0.87472 0.75056 1.0000
N16 N 1 0.62528 0.72881 0.74944 1.0000
N17 N 1 0.14126 0.18484 0.20158 1.0000
N18 N 1 0.14126 0.11358 0.20158 1.0000
N19 N 1 0.31516 0.84284 0.29842 1.0000
N20 N 1 0.61358 0.15716 0.70158 1.0000
N21 N 1 0.34284 0.81516 0.79842 1.0000
N22 N 1 0.65716 0.11358 0.20158 1.0000
N23 N 1 0.38642 0.84284 0.29842 1.0000
N24 N 1 0.31516 0.35874 0.29842 1.0000
N25 N 1 0.38642 0.35874 0.29842 1.0000
N26 N 1 0.34284 0.88642 0.79842 1.0000
N27 N 1 0.85874 0.88642 0.79842 1.0000
N28 N 1 0.85874 0.81516 0.79842 1.0000
N29 N 1 0.68484 0.15716 0.70158 1.0000
N30 N 1 0.65716 0.18484 0.20158 1.0000
N31 N 1 0.61358 0.64126 0.70158 1.0000
N32 N 1 0.68484 0.64126 0.70158 1.0000
N33 N 1 0.25716 0.42569 0.08812 1.0000
N34 N 1 0.25716 0.98619 0.08812 1.0000
N35 N 1 0.07431 0.84528 0.41188 1.0000
N36 N 1 0.48619 0.15472 0.58812 1.0000
N37 N 1 0.34528 0.57431 0.91188 1.0000
N38 N 1 0.65472 0.98619 0.08812 1.0000
N39 N 1 0.51381 0.84528 0.41188 1.0000
N40 N 1 0.07431 0.24284 0.41188 1.0000
N41 N 1 0.51381 0.24284 0.41188 1.0000
N42 N 1 0.34528 0.01381 0.91188 1.0000
N43 N 1 0.74284 0.01381 0.91188 1.0000
N44 N 1 0.74284 0.57431 0.91188 1.0000
N45 N 1 0.92569 0.15472 0.58812 1.0000
N46 N 1 0.65472 0.42569 0.08812 1.0000
N47 N 1 0.48619 0.75716 0.58812 1.0000
N48 N 1 0.92569 0.75716 0.58812 1.0000
N49 N 1 0.19533 0.19192 0.23097 1.0000
N50 N 1 0.19533 0.07710 0.23097 1.0000
N51 N 1 0.30808 0.92630 0.26903 1.0000
N52 N 1 0.57710 0.07370 0.73097 1.0000
N53 N 1 0.42630 0.80808 0.76903 1.0000
N54 N 1 0.57370 0.07710 0.23097 1.0000
N55 N 1 0.42290 0.92630 0.26903 1.0000
N56 N 1 0.30808 0.30467 0.26903 1.0000
N57 N 1 0.42290 0.30467 0.26903 1.0000
N58 N 1 0.42630 0.92290 0.76903 1.0000
N59 N 1 0.80467 0.92290 0.76903 1.0000
N60 N 1 0.80467 0.80808 0.76903 1.0000
N61 N 1 0.69192 0.07370 0.73097 1.0000
N62 N 1 0.57370 0.19192 0.23097 1.0000
N63 N 1 0.57710 0.69533 0.73097 1.0000
N64 N 1 0.69192 0.69533 0.73097 1.0000
N65 N 1 0.25799 0.54618 0.94525 1.0000
N66 N 1 0.25799 0.00857 0.94525 1.0000
N67 N 1 0.95382 0.70324 0.55475 1.0000
N68 N 1 0.50857 0.29676 0.44525 1.0000
N69 N 1 0.20324 0.45382 0.05475 1.0000
N70 N 1 0.79676 0.00857 0.94525 1.0000
N71 N 1 0.49143 0.70324 0.55475 1.0000
N72 N 1 0.95382 0.24201 0.55475 1.0000
N73 N 1 0.49143 0.24201 0.55475 1.0000
N74 N 1 0.20324 0.99143 0.05475 1.0000
N75 N 1 0.74201 0.99143 0.05475 1.0000
N76 N 1 0.74201 0.45382 0.05475 1.0000
N77 N 1 0.04618 0.29676 0.44525 1.0000
N78 N 1 0.79676 0.54618 0.94525 1.0000
N79 N 1 0.50857 0.75799 0.44525 1.0000
N80 N 1 0.04618 0.75799 0.44525 1.0000
Zn1 Zn 1 0.21024 0.28976 0.25000 1.0000
Zn2 Zn 1 0.21024 0.96024 0.25000 1.0000
Zn3 Zn 1 0.46024 0.03976 0.75000 1.0000
Zn4 Zn 1 0.46024 0.71024 0.75000 1.0000
Zn5 Zn 1 0.53976 0.96024 0.25000 1.0000
Zn6 Zn 1 0.53976 0.28976 0.25000 1.0000
Zn7 Zn 1 0.78976 0.03976 0.75000 1.0000
Zn8 Zn 1 0.78976 0.71024 0.75000 1.0000
#End 

data_34-crb3_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           VEJYIT
_cell_length_a                      9.426752
_cell_length_b                      24.11033
_cell_length_c                      23.4076
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        5320.127
_cell_formula_units_Z               16
_symmetry_space_group_name_H-M      'P b c a'
_symmetry_Int_Tables_number         61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-z
5 -x,-y,-z
6 1/2+x,y,1/2-z
7 1/2-x,1/2+y,z
8 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 8 0.12404 0.23539 0.48190 1.0000
N2 N 8 0.29953 0.28718 0.47927 1.0000
N3 N 8 0.00096 0.08267 0.41973 1.0000
N4 N 8 0.74075 0.01269 0.25317 1.0000
N5 N 8 0.10054 0.27269 0.44072 1.0000
N6 N 8 0.87135 0.99544 0.25717 1.0000
N7 N 8 0.90713 0.96652 0.21077 1.0000
N8 N 8 0.24710 0.24421 0.50575 1.0000
N9 N 8 0.69585 0.99441 0.20393 1.0000
N10 N 8 0.79809 0.96592 0.17768 1.0000
N11 N 8 0.98804 0.07936 0.57917 1.0000
N12 N 8 0.20947 0.30484 0.43917 1.0000
N13 N 8 0.95489 0.13263 0.43020 1.0000
N14 N 8 0.88819 0.15306 0.38455 1.0000
N15 N 8 0.13528 0.10423 0.64539 1.0000
N16 N 8 0.96225 0.07222 0.36728 1.0000
N17 N 8 0.89275 0.11552 0.34546 1.0000
N18 N 8 0.13230 0.14346 0.60817 1.0000
N19 N 8 0.04163 0.12798 0.56739 1.0000
N20 N 8 0.04625 0.06484 0.62736 1.0000
Zn1 Zn 8 0.98421 0.17568 0.50234 1.0000
Zn2 Zn 8 0.99790 0.00198 0.32527 1.0000
#End 

data_35-cha_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           TOHDEB
_cell_length_a                      17.18327
_cell_length_b                      17.18327
_cell_length_c                      17.18327
_cell_angle_alpha                   104.8147
_cell_angle_beta                    104.8147
_cell_angle_gamma                   104.8147
_cell_volume                        4453.318
_cell_formula_units_Z               12
_symmetry_space_group_name_H-M      'R -3 r'
_symmetry_Int_Tables_number         148
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 z,x,y
3 y,z,x
4 -x,-y,-z
5 -z,-x,-y
6 -y,-z,-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 6 0.10351 0.39546 0.02730 1.0000
N2 N 6 0.94960 0.14889 0.75236 1.0000
N3 N 6 0.02786 0.39593 0.10392 1.0000
N4 N 6 0.32127 0.24490 0.96493 1.0000
N5 N 6 0.05127 0.24774 0.85048 1.0000
N6 N 6 0.24493 0.32090 0.96490 1.0000
N7 N 6 0.03225 0.35111 0.03241 1.0000
N8 N 6 0.25864 0.25842 0.91508 1.0000
N9 N 6 0.96918 0.12109 0.81802 1.0000
N10 N 6 0.00023 0.22731 0.77212 1.0000
N11 N 6 0.09580 0.46778 0.14267 1.0000
N12 N 6 0.14285 0.46749 0.09500 1.0000
N13 N 6 0.29847 0.34562 0.04512 1.0000
N14 N 6 0.34587 0.29842 0.04515 1.0000
N15 N 6 0.03237 0.18241 0.87891 1.0000
N16 N 6 0.54793 0.11847 0.84569 1.0000
N17 N 6 0.44763 0.14882 0.87606 1.0000
N18 N 6 0.50225 0.11025 0.89499 1.0000
N19 N 6 0.45921 0.18062 0.81515 1.0000
N20 N 6 0.52171 0.16180 0.79632 1.0000
Zn1 Zn 6 0.35792 0.14416 0.92972 1.0000
Zn2 Zn 6 0.14447 0.35806 0.92961 1.0000
#End 

data_36-sra_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           BISPAU
_cell_length_a                      9.685135
_cell_length_b                      12.8143
_cell_length_c                      20.07514
_cell_angle_alpha                   90
_cell_angle_beta                    96.33424
_cell_angle_gamma                   90
_cell_volume                        2476.279
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P 21/c'
_symmetry_Int_Tables_number         14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 4 0.50352 0.48606 0.34488 1.0000
N2 N 4 0.55956 0.56697 0.37675 1.0000
N3 N 4 0.68568 0.57197 0.35986 1.0000
N4 N 4 0.70773 0.49472 0.31791 1.0000
N5 N 4 0.59449 0.44126 0.30855 1.0000
N6 N 4 0.19140 0.55304 0.37915 1.0000
N7 N 4 0.05892 0.56307 0.36052 1.0000
N8 N 4 0.01457 0.62966 0.40247 1.0000
N9 N 4 0.11916 0.66059 0.44693 1.0000
N10 N 4 0.22901 0.61274 0.43253 1.0000
N11 N 4 0.29047 0.33587 0.42157 1.0000
N12 N 4 0.23381 0.36842 0.47375 1.0000
N13 N 4 0.23807 0.28919 0.51453 1.0000
N14 N 4 0.29708 0.20755 0.48788 1.0000
N15 N 4 0.32955 0.23665 0.43002 1.0000
N16 N 4 0.23183 0.38836 0.25687 1.0000
N17 N 4 0.25947 0.29960 0.22942 1.0000
N18 N 4 0.18935 0.30118 0.17010 1.0000
N19 N 4 0.11860 0.39036 0.16091 1.0000
N20 N 4 0.14514 0.44457 0.21478 1.0000
Zn1 Zn 4 0.30788 0.43870 0.34714 1.0000
Zn2 Zn 4 0.81985 0.68310 0.39530 1.0000
#End 

data_37-ana_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           EHETER02
_cell_length_a                      22.31438
_cell_length_b                      22.31438
_cell_length_c                      22.31438
_cell_angle_alpha                   109.4712
_cell_angle_beta                    109.4712
_cell_angle_gamma                   109.4712
_cell_volume                        8553.274
_cell_formula_units_Z               24
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.80846 0.07175 0.00579 1.0000
N2 N 1 0.69733 0.26330 0.69154 1.0000
N3 N 1 0.56597 0.80267 0.49421 1.0000
N4 N 1 0.26330 0.69154 0.69733 1.0000
N5 N 1 0.73670 0.92825 0.43403 1.0000
N6 N 1 0.57175 0.30846 0.50579 1.0000
N7 N 1 0.80846 0.23670 0.80267 1.0000
N8 N 1 0.76330 0.06597 0.57175 1.0000
N9 N 1 0.49421 0.42825 0.69154 1.0000
N10 N 1 0.56597 0.26330 0.07175 1.0000
N11 N 1 0.42825 0.23670 0.93403 1.0000
N12 N 1 0.57175 0.76330 0.06597 1.0000
N13 N 1 0.06597 0.57175 0.76330 1.0000
N14 N 1 0.99421 0.19154 0.92825 1.0000
N15 N 1 0.93403 0.00579 0.69733 1.0000
N16 N 1 0.19154 0.92825 0.99421 1.0000
N17 N 1 0.26330 0.07175 0.56597 1.0000
N18 N 1 0.00579 0.80846 0.07175 1.0000
N19 N 1 0.19154 0.76330 0.19733 1.0000
N20 N 1 0.07175 0.56597 0.26330 1.0000
N21 N 1 0.50579 0.57175 0.30846 1.0000
N22 N 1 0.49421 0.56597 0.80267 1.0000
N23 N 1 0.69733 0.93403 0.00579 1.0000
N24 N 1 0.99421 0.30267 0.06597 1.0000
N25 N 1 0.30267 0.73670 0.30846 1.0000
N26 N 1 0.19733 0.50579 0.43403 1.0000
N27 N 1 0.23670 0.93403 0.42825 1.0000
N28 N 1 0.73670 0.30846 0.30267 1.0000
N29 N 1 0.69154 0.49421 0.42825 1.0000
N30 N 1 0.30846 0.30267 0.73670 1.0000
N31 N 1 0.80267 0.49421 0.56597 1.0000
N32 N 1 0.80267 0.80846 0.23670 1.0000
N33 N 1 0.30267 0.06597 0.99421 1.0000
N34 N 1 0.43403 0.19733 0.50579 1.0000
N35 N 1 0.92825 0.99421 0.19154 1.0000
N36 N 1 0.76330 0.19733 0.19154 1.0000
N37 N 1 0.06597 0.99421 0.30267 1.0000
N38 N 1 0.00579 0.69733 0.93403 1.0000
N39 N 1 0.19733 0.19154 0.76330 1.0000
N40 N 1 0.42825 0.69154 0.49421 1.0000
N41 N 1 0.43403 0.73670 0.92825 1.0000
N42 N 1 0.07175 0.00579 0.80846 1.0000
N43 N 1 0.92825 0.43403 0.73670 1.0000
N44 N 1 0.69154 0.69733 0.26330 1.0000
N45 N 1 0.93403 0.42825 0.23670 1.0000
N46 N 1 0.23670 0.80267 0.80846 1.0000
N47 N 1 0.50579 0.43403 0.19733 1.0000
N48 N 1 0.30846 0.50579 0.57175 1.0000
N49 N 1 0.86168 0.13394 0.96931 1.0000
N50 N 1 0.60763 0.27226 0.63832 1.0000
N51 N 1 0.66463 0.89237 0.53069 1.0000
N52 N 1 0.27226 0.63832 0.60763 1.0000
N53 N 1 0.72774 0.86606 0.33537 1.0000
N54 N 1 0.63394 0.36168 0.46931 1.0000
N55 N 1 0.86168 0.22774 0.89237 1.0000
N56 N 1 0.77226 0.16463 0.63394 1.0000
N57 N 1 0.53069 0.36606 0.63832 1.0000
N58 N 1 0.66463 0.27226 0.13394 1.0000
N59 N 1 0.36606 0.22774 0.83537 1.0000
N60 N 1 0.63394 0.77226 0.16463 1.0000
N61 N 1 0.16463 0.63394 0.77226 1.0000
N62 N 1 0.03069 0.13832 0.86606 1.0000
N63 N 1 0.83537 0.96931 0.60763 1.0000
N64 N 1 0.13832 0.86606 0.03069 1.0000
N65 N 1 0.27226 0.13394 0.66463 1.0000
N66 N 1 0.96931 0.86168 0.13394 1.0000
N67 N 1 0.13832 0.77226 0.10763 1.0000
N68 N 1 0.13394 0.66463 0.27226 1.0000
N69 N 1 0.46931 0.63394 0.36168 1.0000
N70 N 1 0.53069 0.66463 0.89237 1.0000
N71 N 1 0.60763 0.83537 0.96931 1.0000
N72 N 1 0.03069 0.39237 0.16463 1.0000
N73 N 1 0.39237 0.72774 0.36168 1.0000
N74 N 1 0.10763 0.46931 0.33537 1.0000
N75 N 1 0.22774 0.83537 0.36606 1.0000
N76 N 1 0.72774 0.36168 0.39237 1.0000
N77 N 1 0.63832 0.53069 0.36606 1.0000
N78 N 1 0.36168 0.39237 0.72774 1.0000
N79 N 1 0.89237 0.53069 0.66463 1.0000
N80 N 1 0.89237 0.86168 0.22774 1.0000
N81 N 1 0.39237 0.16463 0.03069 1.0000
N82 N 1 0.33537 0.10763 0.46931 1.0000
N83 N 1 0.86606 0.03069 0.13832 1.0000
N84 N 1 0.77226 0.10763 0.13832 1.0000
N85 N 1 0.16463 0.03069 0.39237 1.0000
N86 N 1 0.96931 0.60763 0.83537 1.0000
N87 N 1 0.10763 0.13832 0.77226 1.0000
N88 N 1 0.36606 0.63832 0.53069 1.0000
N89 N 1 0.33537 0.72774 0.86606 1.0000
N90 N 1 0.13394 0.96931 0.86168 1.0000
N91 N 1 0.86606 0.33537 0.72774 1.0000
N92 N 1 0.63832 0.60763 0.27226 1.0000
N93 N 1 0.83537 0.36606 0.22774 1.0000
N94 N 1 0.22774 0.89237 0.86168 1.0000
N95 N 1 0.46931 0.33537 0.10763 1.0000
N96 N 1 0.36168 0.46931 0.63394 1.0000
N97 N 1 0.79599 0.08052 0.91171 1.0000
N98 N 1 0.61572 0.28453 0.70401 1.0000
N99 N 1 0.66881 0.88428 0.58829 1.0000
N100 N 1 0.28453 0.70401 0.61572 1.0000
N101 N 1 0.71547 0.91948 0.33119 1.0000
N102 N 1 0.58052 0.29599 0.41171 1.0000
N103 N 1 0.79599 0.21547 0.88428 1.0000
N104 N 1 0.78453 0.16881 0.58052 1.0000
N105 N 1 0.58829 0.41948 0.70401 1.0000
N106 N 1 0.66881 0.28453 0.08052 1.0000
N107 N 1 0.41948 0.21547 0.83119 1.0000
N108 N 1 0.58052 0.78453 0.16881 1.0000
N109 N 1 0.16881 0.58052 0.78453 1.0000
N110 N 1 0.08829 0.20401 0.91948 1.0000
N111 N 1 0.83119 0.91171 0.61572 1.0000
N112 N 1 0.20401 0.91948 0.08829 1.0000
N113 N 1 0.28453 0.08052 0.66881 1.0000
N114 N 1 0.91171 0.79599 0.08052 1.0000
N115 N 1 0.20401 0.78453 0.11572 1.0000
N116 N 1 0.08052 0.66881 0.28453 1.0000
N117 N 1 0.41171 0.58052 0.29599 1.0000
N118 N 1 0.58829 0.66881 0.88428 1.0000
N119 N 1 0.61572 0.83119 0.91171 1.0000
N120 N 1 0.08829 0.38428 0.16881 1.0000
N121 N 1 0.38428 0.71547 0.29599 1.0000
N122 N 1 0.11572 0.41171 0.33119 1.0000
N123 N 1 0.21547 0.83119 0.41948 1.0000
N124 N 1 0.71547 0.29599 0.38428 1.0000
N125 N 1 0.70401 0.58829 0.41948 1.0000
N126 N 1 0.29599 0.38428 0.71547 1.0000
N127 N 1 0.88428 0.58829 0.66881 1.0000
N128 N 1 0.88428 0.79599 0.21547 1.0000
N129 N 1 0.38428 0.16881 0.08829 1.0000
N130 N 1 0.33119 0.11572 0.41171 1.0000
N131 N 1 0.91948 0.08829 0.20401 1.0000
N132 N 1 0.78453 0.11572 0.20401 1.0000
N133 N 1 0.16881 0.08829 0.38428 1.0000
N134 N 1 0.91171 0.61572 0.83119 1.0000
N135 N 1 0.11572 0.20401 0.78453 1.0000
N136 N 1 0.41948 0.70401 0.58829 1.0000
N137 N 1 0.33119 0.71547 0.91948 1.0000
N138 N 1 0.08052 0.91171 0.79599 1.0000
N139 N 1 0.91948 0.33119 0.71547 1.0000
N140 N 1 0.70401 0.61572 0.28453 1.0000
N141 N 1 0.83119 0.41948 0.21547 1.0000
N142 N 1 0.21547 0.88428 0.79599 1.0000
N143 N 1 0.41171 0.33119 0.11572 1.0000
N144 N 1 0.29599 0.41171 0.58052 1.0000
N145 N 1 0.86965 0.12880 0.02768 1.0000
N146 N 1 0.65803 0.25915 0.63035 1.0000
N147 N 1 0.60112 0.84197 0.47232 1.0000
N148 N 1 0.25915 0.63035 0.65803 1.0000
N149 N 1 0.74085 0.87120 0.39888 1.0000
N150 N 1 0.62880 0.36965 0.52768 1.0000
N151 N 1 0.86965 0.24085 0.84197 1.0000
N152 N 1 0.75915 0.10112 0.62880 1.0000
N153 N 1 0.47232 0.37120 0.63035 1.0000
N154 N 1 0.60112 0.25915 0.12880 1.0000
N155 N 1 0.37120 0.24085 0.89888 1.0000
N156 N 1 0.62880 0.75915 0.10112 1.0000
N157 N 1 0.10112 0.62880 0.75915 1.0000
N158 N 1 0.97232 0.13035 0.87120 1.0000
N159 N 1 0.89888 0.02768 0.65803 1.0000
N160 N 1 0.13035 0.87120 0.97232 1.0000
N161 N 1 0.25915 0.12880 0.60112 1.0000
N162 N 1 0.02768 0.86965 0.12880 1.0000
N163 N 1 0.13035 0.75915 0.15803 1.0000
N164 N 1 0.12880 0.60112 0.25915 1.0000
N165 N 1 0.52768 0.62880 0.36965 1.0000
N166 N 1 0.47232 0.60112 0.84197 1.0000
N167 N 1 0.65803 0.89888 0.02768 1.0000
N168 N 1 0.97232 0.34197 0.10112 1.0000
N169 N 1 0.34197 0.74085 0.36965 1.0000
N170 N 1 0.15803 0.52768 0.39888 1.0000
N171 N 1 0.24085 0.89888 0.37120 1.0000
N172 N 1 0.74085 0.36965 0.34197 1.0000
N173 N 1 0.63035 0.47232 0.37120 1.0000
N174 N 1 0.36965 0.34197 0.74085 1.0000
N175 N 1 0.84197 0.47232 0.60112 1.0000
N176 N 1 0.84197 0.86965 0.24085 1.0000
N177 N 1 0.34197 0.10112 0.97232 1.0000
N178 N 1 0.39888 0.15803 0.52768 1.0000
N179 N 1 0.87120 0.97232 0.13035 1.0000
N180 N 1 0.75915 0.15803 0.13035 1.0000
N181 N 1 0.10112 0.97232 0.34197 1.0000
N182 N 1 0.02768 0.65803 0.89888 1.0000
N183 N 1 0.15803 0.13035 0.75915 1.0000
N184 N 1 0.37120 0.63035 0.47232 1.0000
N185 N 1 0.39888 0.74085 0.87120 1.0000
N186 N 1 0.12880 0.02768 0.86965 1.0000
N187 N 1 0.87120 0.39888 0.74085 1.0000
N188 N 1 0.63035 0.65803 0.25915 1.0000
N189 N 1 0.89888 0.37120 0.24085 1.0000
N190 N 1 0.24085 0.84197 0.86965 1.0000
N191 N 1 0.52768 0.39888 0.15803 1.0000
N192 N 1 0.36965 0.52768 0.62880 1.0000
N193 N 1 0.76288 0.04198 0.93432 1.0000
N194 N 1 0.67144 0.27910 0.73712 1.0000
N195 N 1 0.60766 0.82856 0.56568 1.0000
N196 N 1 0.27910 0.73712 0.67144 1.0000
N197 N 1 0.72090 0.95802 0.39234 1.0000
N198 N 1 0.54198 0.26288 0.43432 1.0000
N199 N 1 0.76288 0.22090 0.82856 1.0000
N200 N 1 0.77910 0.10766 0.54198 1.0000
N201 N 1 0.56568 0.45802 0.73712 1.0000
N202 N 1 0.60766 0.27910 0.04198 1.0000
N203 N 1 0.45802 0.22090 0.89234 1.0000
N204 N 1 0.54198 0.77910 0.10766 1.0000
N205 N 1 0.10766 0.54198 0.77910 1.0000
N206 N 1 0.06568 0.23712 0.95802 1.0000
N207 N 1 0.89234 0.93432 0.67144 1.0000
N208 N 1 0.23712 0.95802 0.06568 1.0000
N209 N 1 0.27910 0.04198 0.60766 1.0000
N210 N 1 0.93432 0.76288 0.04198 1.0000
N211 N 1 0.23712 0.77910 0.17144 1.0000
N212 N 1 0.04198 0.60766 0.27910 1.0000
N213 N 1 0.43432 0.54198 0.26288 1.0000
N214 N 1 0.56568 0.60766 0.82856 1.0000
N215 N 1 0.67144 0.89234 0.93432 1.0000
N216 N 1 0.06568 0.32856 0.10766 1.0000
N217 N 1 0.32856 0.72090 0.26288 1.0000
N218 N 1 0.17144 0.43432 0.39234 1.0000
N219 N 1 0.22090 0.89234 0.45802 1.0000
N220 N 1 0.72090 0.26288 0.32856 1.0000
N221 N 1 0.73712 0.56568 0.45802 1.0000
N222 N 1 0.26288 0.32856 0.72090 1.0000
N223 N 1 0.82856 0.56568 0.60766 1.0000
N224 N 1 0.82856 0.76288 0.22090 1.0000
N225 N 1 0.32856 0.10766 0.06568 1.0000
N226 N 1 0.39234 0.17144 0.43432 1.0000
N227 N 1 0.95802 0.06568 0.23712 1.0000
N228 N 1 0.77910 0.17144 0.23712 1.0000
N229 N 1 0.10766 0.06568 0.32856 1.0000
N230 N 1 0.93432 0.67144 0.89234 1.0000
N231 N 1 0.17144 0.23712 0.77910 1.0000
N232 N 1 0.45802 0.73712 0.56568 1.0000
N233 N 1 0.39234 0.72090 0.95802 1.0000
N234 N 1 0.04198 0.93432 0.76288 1.0000
N235 N 1 0.95802 0.39234 0.72090 1.0000
N236 N 1 0.73712 0.67144 0.27910 1.0000
N237 N 1 0.89234 0.45802 0.22090 1.0000
N238 N 1 0.22090 0.82856 0.76288 1.0000
N239 N 1 0.43432 0.39234 0.17144 1.0000
N240 N 1 0.26288 0.43432 0.54198 1.0000
Zn1 Zn 1 0.93050 0.21525 0.96525 1.0000
Zn2 Zn 1 0.53475 0.28475 0.56950 1.0000
Zn3 Zn 1 0.75000 0.96525 0.53475 1.0000
Zn4 Zn 1 0.28475 0.56950 0.53475 1.0000
Zn5 Zn 1 0.71525 0.78475 0.25000 1.0000
Zn6 Zn 1 0.71525 0.43050 0.46525 1.0000
Zn7 Zn 1 0.78475 0.25000 0.71525 1.0000
Zn8 Zn 1 0.75000 0.28475 0.21525 1.0000
Zn9 Zn 1 0.28475 0.21525 0.75000 1.0000
Zn10 Zn 1 0.25000 0.71525 0.78475 1.0000
Zn11 Zn 1 0.03475 0.06950 0.78475 1.0000
Zn12 Zn 1 0.06950 0.78475 0.03475 1.0000
Zn13 Zn 1 0.96525 0.93050 0.21525 1.0000
Zn14 Zn 1 0.21525 0.75000 0.28475 1.0000
Zn15 Zn 1 0.46525 0.71525 0.43050 1.0000
Zn16 Zn 1 0.53475 0.75000 0.96525 1.0000
Zn17 Zn 1 0.03475 0.46525 0.25000 1.0000
Zn18 Zn 1 0.56950 0.53475 0.28475 1.0000
Zn19 Zn 1 0.43050 0.46525 0.71525 1.0000
Zn20 Zn 1 0.96525 0.53475 0.75000 1.0000
Zn21 Zn 1 0.46525 0.25000 0.03475 1.0000
Zn22 Zn 1 0.25000 0.03475 0.46525 1.0000
Zn23 Zn 1 0.78475 0.03475 0.06950 1.0000
Zn24 Zn 1 0.21525 0.96525 0.93050 1.0000
#End 

data_38-qtz_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           CAGLIF
_cell_length_a                      8.913351
_cell_length_b                      8.913351
_cell_length_c                      11.63692
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        800.6649
_cell_formula_units_Z               3
_symmetry_space_group_name_H-M      'P 64 2 2'
_symmetry_Int_Tables_number         181
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,z
3 -y,x-y,1/3+z
4 -x+y,-x,2/3+z
5 x-y,x,2/3+z
6 y,-x+y,1/3+z
7 x-y,-y,-z
8 -x,-x+y,2/3-z
9 y,x,1/3-z
10 -y,-x,1/3-z
11 x,x-y,2/3-z
12 -x+y,y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 12 0.87041 0.29854 0.22784 1.0000
N2 N 6 0.73459 0.26541 0.16667 1.0000
N3 N 12 0.92120 0.18405 0.20447 1.0000
Zn1 Zn 3 0.00000 0.50000 0.33333 1.0000
#End 

data_39-rho_Zn
_audit_creation_method              ToposPro
_Chemical_Name_Systematic           MECWOH
_cell_length_a                      24.69465
_cell_length_b                      24.69465
_cell_length_c                      24.69465
_cell_angle_alpha                   109.4712
_cell_angle_beta                    109.4712
_cell_angle_gamma                   109.4712
_cell_volume                        11592.75
_cell_formula_units_Z               24
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 1 0.42055 0.27018 0.61806 1.0000
N2 N 1 0.84963 0.27018 0.65212 1.0000
N3 N 1 0.42055 0.61806 0.27018 1.0000
N4 N 1 0.34788 0.72982 0.15037 1.0000
N5 N 1 0.61806 0.27018 0.42055 1.0000
N6 N 1 0.84963 0.19751 0.57945 1.0000
N7 N 1 0.57945 0.84963 0.19751 1.0000
N8 N 1 0.80249 0.38194 0.65212 1.0000
N9 N 1 0.72982 0.34788 0.15037 1.0000
N10 N 1 0.72982 0.57945 0.38194 1.0000
N11 N 1 0.61806 0.42055 0.27018 1.0000
N12 N 1 0.61806 0.19751 0.34788 1.0000
N13 N 1 0.15037 0.42055 0.80249 1.0000
N14 N 1 0.27018 0.42055 0.61806 1.0000
N15 N 1 0.80249 0.42055 0.15037 1.0000
N16 N 1 0.27018 0.61806 0.42055 1.0000
N17 N 1 0.42055 0.15037 0.80249 1.0000
N18 N 1 0.15037 0.72982 0.34788 1.0000
N19 N 1 0.72982 0.38194 0.57945 1.0000
N20 N 1 0.57945 0.38194 0.72982 1.0000
N21 N 1 0.65212 0.38194 0.80249 1.0000
N22 N 1 0.34788 0.19751 0.61806 1.0000
N23 N 1 0.57945 0.19751 0.84963 1.0000
N24 N 1 0.57945 0.72982 0.38194 1.0000
N25 N 1 0.65212 0.84963 0.27018 1.0000
N26 N 1 0.38194 0.65212 0.80249 1.0000
N27 N 1 0.15037 0.34788 0.72982 1.0000
N28 N 1 0.27018 0.84963 0.65212 1.0000
N29 N 1 0.65212 0.27018 0.84963 1.0000
N30 N 1 0.34788 0.61806 0.19751 1.0000
N31 N 1 0.19751 0.34788 0.61806 1.0000
N32 N 1 0.80249 0.65212 0.38194 1.0000
N33 N 1 0.15037 0.80249 0.42055 1.0000
N34 N 1 0.38194 0.80249 0.65212 1.0000
N35 N 1 0.19751 0.84963 0.57945 1.0000
N36 N 1 0.27018 0.65212 0.84963 1.0000
N37 N 1 0.61806 0.34788 0.19751 1.0000
N38 N 1 0.19751 0.57945 0.84963 1.0000
N39 N 1 0.84963 0.65212 0.27018 1.0000
N40 N 1 0.19751 0.61806 0.34788 1.0000
N41 N 1 0.42055 0.80249 0.15037 1.0000
N42 N 1 0.72982 0.15037 0.34788 1.0000
N43 N 1 0.38194 0.57945 0.72982 1.0000
N44 N 1 0.84963 0.57945 0.19751 1.0000
N45 N 1 0.34788 0.15037 0.72982 1.0000
N46 N 1 0.38194 0.72982 0.57945 1.0000
N47 N 1 0.80249 0.15037 0.42055 1.0000
N48 N 1 0.65212 0.80249 0.38194 1.0000
N49 N 1 0.52561 0.32952 0.57703 1.0000
N50 N 1 0.80392 0.32952 0.75249 1.0000
N51 N 1 0.52561 0.57703 0.32952 1.0000
N52 N 1 0.24751 0.67048 0.19608 1.0000
N53 N 1 0.57703 0.32952 0.52561 1.0000
N54 N 1 0.80392 0.05143 0.47439 1.0000
N55 N 1 0.47439 0.80392 0.05143 1.0000
N56 N 1 0.94857 0.42297 0.75249 1.0000
N57 N 1 0.67048 0.24751 0.19608 1.0000
N58 N 1 0.67048 0.47439 0.42297 1.0000
N59 N 1 0.57703 0.52561 0.32952 1.0000
N60 N 1 0.57703 0.05143 0.24751 1.0000
N61 N 1 0.19608 0.52561 0.94857 1.0000
N62 N 1 0.32952 0.52561 0.57703 1.0000
N63 N 1 0.94857 0.52561 0.19608 1.0000
N64 N 1 0.32952 0.57703 0.52561 1.0000
N65 N 1 0.52561 0.19608 0.94857 1.0000
N66 N 1 0.19608 0.67048 0.24751 1.0000
N67 N 1 0.67048 0.42297 0.47439 1.0000
N68 N 1 0.47439 0.42297 0.67048 1.0000
N69 N 1 0.75249 0.42297 0.94857 1.0000
N70 N 1 0.24751 0.05143 0.57703 1.0000
N71 N 1 0.47439 0.05143 0.80392 1.0000
N72 N 1 0.47439 0.67048 0.42297 1.0000
N73 N 1 0.75249 0.80392 0.32952 1.0000
N74 N 1 0.42297 0.75249 0.94857 1.0000
N75 N 1 0.19608 0.24751 0.67048 1.0000
N76 N 1 0.32952 0.80392 0.75249 1.0000
N77 N 1 0.75249 0.32952 0.80392 1.0000
N78 N 1 0.24751 0.57703 0.05143 1.0000
N79 N 1 0.05143 0.24751 0.57703 1.0000
N80 N 1 0.94857 0.75249 0.42297 1.0000
N81 N 1 0.19608 0.94857 0.52561 1.0000
N82 N 1 0.42297 0.94857 0.75249 1.0000
N83 N 1 0.05143 0.80392 0.47439 1.0000
N84 N 1 0.32952 0.75249 0.80392 1.0000
N85 N 1 0.57703 0.24751 0.05143 1.0000
N86 N 1 0.05143 0.47439 0.80392 1.0000
N87 N 1 0.80392 0.75249 0.32952 1.0000
N88 N 1 0.05143 0.57703 0.24751 1.0000
N89 N 1 0.52561 0.94857 0.19608 1.0000
N90 N 1 0.67048 0.19608 0.24751 1.0000
N91 N 1 0.42297 0.47439 0.67048 1.0000
N92 N 1 0.80392 0.47439 0.05143 1.0000
N93 N 1 0.24751 0.19608 0.67048 1.0000
N94 N 1 0.42297 0.67048 0.47439 1.0000
N95 N 1 0.94857 0.19608 0.52561 1.0000
N96 N 1 0.75249 0.94857 0.42297 1.0000
N97 N 1 0.37147 0.22905 0.55537 1.0000
N98 N 1 0.85758 0.22905 0.67368 1.0000
N99 N 1 0.37147 0.55537 0.22905 1.0000
N100 N 1 0.32632 0.77095 0.14242 1.0000
N101 N 1 0.55537 0.22905 0.37147 1.0000
N102 N 1 0.85758 0.18390 0.62853 1.0000
N103 N 1 0.62853 0.85758 0.18390 1.0000
N104 N 1 0.81610 0.44463 0.67368 1.0000
N105 N 1 0.77095 0.32632 0.14242 1.0000
N106 N 1 0.77095 0.62853 0.44463 1.0000
N107 N 1 0.55537 0.37147 0.22905 1.0000
N108 N 1 0.55537 0.18390 0.32632 1.0000
N109 N 1 0.14242 0.37147 0.81610 1.0000
N110 N 1 0.22905 0.37147 0.55537 1.0000
N111 N 1 0.81610 0.37147 0.14242 1.0000
N112 N 1 0.22905 0.55537 0.37147 1.0000
N113 N 1 0.37147 0.14242 0.81610 1.0000
N114 N 1 0.14242 0.77095 0.32632 1.0000
N115 N 1 0.77095 0.44463 0.62853 1.0000
N116 N 1 0.62853 0.44463 0.77095 1.0000
N117 N 1 0.67368 0.44463 0.81610 1.0000
N118 N 1 0.32632 0.18390 0.55537 1.0000
N119 N 1 0.62853 0.18390 0.85758 1.0000
N120 N 1 0.62853 0.77095 0.44463 1.0000
N121 N 1 0.67368 0.85758 0.22905 1.0000
N122 N 1 0.44463 0.67368 0.81610 1.0000
N123 N 1 0.14242 0.32632 0.77095 1.0000
N124 N 1 0.22905 0.85758 0.67368 1.0000
N125 N 1 0.67368 0.22905 0.85758 1.0000
N126 N 1 0.32632 0.55537 0.18390 1.0000
N127 N 1 0.18390 0.32632 0.55537 1.0000
N128 N 1 0.81610 0.67368 0.44463 1.0000
N129 N 1 0.14242 0.81610 0.37147 1.0000
N130 N 1 0.44463 0.81610 0.67368 1.0000
N131 N 1 0.18390 0.85758 0.62853 1.0000
N132 N 1 0.22905 0.67368 0.85758 1.0000
N133 N 1 0.55537 0.32632 0.18390 1.0000
N134 N 1 0.18390 0.62853 0.85758 1.0000
N135 N 1 0.85758 0.67368 0.22905 1.0000
N136 N 1 0.18390 0.55537 0.32632 1.0000
N137 N 1 0.37147 0.81610 0.14242 1.0000
N138 N 1 0.77095 0.14242 0.32632 1.0000
N139 N 1 0.44463 0.62853 0.77095 1.0000
N140 N 1 0.85758 0.62853 0.18390 1.0000
N141 N 1 0.32632 0.14242 0.77095 1.0000
N142 N 1 0.44463 0.77095 0.62853 1.0000
N143 N 1 0.81610 0.14242 0.37147 1.0000
N144 N 1 0.67368 0.81610 0.44463 1.0000
N145 N 1 0.40611 0.25101 0.65712 1.0000
N146 N 1 0.84491 0.25101 0.59389 1.0000
N147 N 1 0.40611 0.65712 0.25101 1.0000
N148 N 1 0.40611 0.74899 0.15509 1.0000
N149 N 1 0.65712 0.25101 0.40611 1.0000
N150 N 1 0.59389 0.84491 0.25101 1.0000
N151 N 1 0.74899 0.34288 0.59389 1.0000
N152 N 1 0.74899 0.40611 0.15509 1.0000
N153 N 1 0.74899 0.59389 0.34288 1.0000
N154 N 1 0.65712 0.40611 0.25101 1.0000
N155 N 1 0.15509 0.40611 0.74899 1.0000
N156 N 1 0.25101 0.40611 0.65712 1.0000
N157 N 1 0.25101 0.65712 0.40611 1.0000
N158 N 1 0.40611 0.15509 0.74899 1.0000
N159 N 1 0.15509 0.74899 0.40611 1.0000
N160 N 1 0.59389 0.34288 0.74899 1.0000
N161 N 1 0.59389 0.25101 0.84491 1.0000
N162 N 1 0.59389 0.74899 0.34288 1.0000
N163 N 1 0.34288 0.59389 0.74899 1.0000
N164 N 1 0.25101 0.84491 0.59389 1.0000
N165 N 1 0.34288 0.74899 0.59389 1.0000
N166 N 1 0.25101 0.59389 0.84491 1.0000
N167 N 1 0.84491 0.59389 0.25101 1.0000
N168 N 1 0.74899 0.15509 0.40611 1.0000
N169 N 1 0.50899 0.26663 0.54087 1.0000
N170 N 1 0.75764 0.26663 0.72576 1.0000
N171 N 1 0.50899 0.54087 0.26663 1.0000
N172 N 1 0.27424 0.73337 0.24236 1.0000
N173 N 1 0.54087 0.26663 0.50899 1.0000
N174 N 1 0.75764 0.03188 0.49101 1.0000
N175 N 1 0.49101 0.75764 0.03188 1.0000
N176 N 1 0.96812 0.45913 0.72576 1.0000
N177 N 1 0.73337 0.27424 0.24236 1.0000
N178 N 1 0.73337 0.49101 0.45913 1.0000
N179 N 1 0.54087 0.50899 0.26663 1.0000
N180 N 1 0.54087 0.03188 0.27424 1.0000
N181 N 1 0.24236 0.50899 0.96812 1.0000
N182 N 1 0.26663 0.50899 0.54087 1.0000
N183 N 1 0.96812 0.50899 0.24236 1.0000
N184 N 1 0.26663 0.54087 0.50899 1.0000
N185 N 1 0.50899 0.24236 0.96812 1.0000
N186 N 1 0.24236 0.73337 0.27424 1.0000
N187 N 1 0.73337 0.45913 0.49101 1.0000
N188 N 1 0.49101 0.45913 0.73337 1.0000
N189 N 1 0.72576 0.45913 0.96812 1.0000
N190 N 1 0.27424 0.03188 0.54087 1.0000
N191 N 1 0.49101 0.03188 0.75764 1.0000
N192 N 1 0.49101 0.73337 0.45913 1.0000
N193 N 1 0.72576 0.75764 0.26663 1.0000
N194 N 1 0.45913 0.72576 0.96812 1.0000
N195 N 1 0.24236 0.27424 0.73337 1.0000
N196 N 1 0.26663 0.75764 0.72576 1.0000
N197 N 1 0.72576 0.26663 0.75764 1.0000
N198 N 1 0.27424 0.54087 0.03188 1.0000
N199 N 1 0.03188 0.27424 0.54087 1.0000
N200 N 1 0.96812 0.72576 0.45913 1.0000
N201 N 1 0.24236 0.96812 0.50899 1.0000
N202 N 1 0.45913 0.96812 0.72576 1.0000
N203 N 1 0.03188 0.75764 0.49101 1.0000
N204 N 1 0.26663 0.72576 0.75764 1.0000
N205 N 1 0.54087 0.27424 0.03188 1.0000
N206 N 1 0.03188 0.49101 0.75764 1.0000
N207 N 1 0.75764 0.72576 0.26663 1.0000
N208 N 1 0.03188 0.54087 0.27424 1.0000
N209 N 1 0.50899 0.96812 0.24236 1.0000
N210 N 1 0.73337 0.24236 0.27424 1.0000
N211 N 1 0.45913 0.49101 0.73337 1.0000
N212 N 1 0.75764 0.49101 0.03188 1.0000
N213 N 1 0.27424 0.24236 0.73337 1.0000
N214 N 1 0.45913 0.73337 0.49101 1.0000
N215 N 1 0.96812 0.24236 0.50899 1.0000
N216 N 1 0.72576 0.96812 0.45913 1.0000
N217 N 1 0.56794 0.36863 0.56794 1.0000
N218 N 1 0.80069 0.36863 0.80069 1.0000
N219 N 1 0.56794 0.56794 0.36863 1.0000
N220 N 1 0.19931 0.63137 0.19931 1.0000
N221 N 1 0.80069 0.00000 0.43206 1.0000
N222 N 1 0.43206 0.80069 0.00000 1.0000
N223 N 1 0.00000 0.43206 0.80069 1.0000
N224 N 1 0.63137 0.19931 0.19931 1.0000
N225 N 1 0.63137 0.43206 0.43206 1.0000
N226 N 1 0.56794 0.00000 0.19931 1.0000
N227 N 1 0.19931 0.56794 0.00000 1.0000
N228 N 1 0.36863 0.56794 0.56794 1.0000
N229 N 1 0.00000 0.56794 0.19931 1.0000
N230 N 1 0.56794 0.19931 0.00000 1.0000
N231 N 1 0.43206 0.43206 0.63137 1.0000
N232 N 1 0.80069 0.43206 0.00000 1.0000
N233 N 1 0.19931 0.00000 0.56794 1.0000
N234 N 1 0.43206 0.00000 0.80069 1.0000
N235 N 1 0.43206 0.63137 0.43206 1.0000
N236 N 1 0.80069 0.80069 0.36863 1.0000
N237 N 1 0.19931 0.19931 0.63137 1.0000
N238 N 1 0.36863 0.80069 0.80069 1.0000
N239 N 1 0.00000 0.19931 0.56794 1.0000
N240 N 1 0.00000 0.80069 0.43206 1.0000
Zn1 Zn 1 0.50000 0.35349 0.64651 1.0000
Zn2 Zn 1 0.85349 0.35349 0.70698 1.0000
Zn3 Zn 1 0.50000 0.64651 0.35349 1.0000
Zn4 Zn 1 0.29302 0.64651 0.14651 1.0000
Zn5 Zn 1 0.64651 0.35349 0.50000 1.0000
Zn6 Zn 1 0.85349 0.14651 0.50000 1.0000
Zn7 Zn 1 0.50000 0.85349 0.14651 1.0000
Zn8 Zn 1 0.64651 0.29302 0.14651 1.0000
Zn9 Zn 1 0.64651 0.50000 0.35349 1.0000
Zn10 Zn 1 0.64651 0.14651 0.29302 1.0000
Zn11 Zn 1 0.14651 0.50000 0.85349 1.0000
Zn12 Zn 1 0.35349 0.50000 0.64651 1.0000
Zn13 Zn 1 0.85349 0.50000 0.14651 1.0000
Zn14 Zn 1 0.35349 0.64651 0.50000 1.0000
Zn15 Zn 1 0.50000 0.14651 0.85349 1.0000
Zn16 Zn 1 0.14651 0.64651 0.29302 1.0000
Zn17 Zn 1 0.70698 0.35349 0.85349 1.0000
Zn18 Zn 1 0.29302 0.14651 0.64651 1.0000
Zn19 Zn 1 0.70698 0.85349 0.35349 1.0000
Zn20 Zn 1 0.35349 0.70698 0.85349 1.0000
Zn21 Zn 1 0.14651 0.29302 0.64651 1.0000
Zn22 Zn 1 0.35349 0.85349 0.70698 1.0000
Zn23 Zn 1 0.85349 0.70698 0.35349 1.0000
Zn24 Zn 1 0.14651 0.85349 0.50000 1.0000
#End 