data_1-TOPOS_icn1
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn1
_chemical_formula_sum               V
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      10
_cell_length_b                      2.7732
_cell_length_c                      1.51
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        41.87532
_cell_formula_units_z               6
_symmetry_space_group_name_h-m      'P m m m'
_symmetry_int_tables_number         47
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 -x,-y,-z
6 x,y,-z
7 -x,y,z
8 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
V1 V 4 0.00000 0.33153 0.33142 1.0000
V2 V 1 0.00000 0.00000 0.50000 1.0000
V3 V 1 0.00000 0.00000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 V1 V # V1
2 2 V2 V # V2
3 3 V3 V # V3
loop_
_topol_node.id
_topol_node.label
1 V1
2 V2
3 V3
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 1 0.9344 1 0 0 0 2 0 1 0 v 2 0.00 # V1 V1
1 2 0.9540 1 0 0 0 1 0 0 0 v 4 0.00 # V1 V2
1 3 1.0468 1 0 0 0 1 0 0 0 v 4 0.00 # V1 V3
1 1 1.3693 1 0 0 0 3 0 1 0 v 2 0.00 # V1 V1
#End of data_1-TOPOS_icn1

data_2-TOPOS_icn2
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn2
_chemical_formula_sum               S
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      3.63202
_cell_length_b                      3.32551
_cell_length_c                      2.5554
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        30.86493
_cell_formula_units_z               24
_symmetry_space_group_name_h-m      'C 2 2 21'
_symmetry_int_tables_number         20
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,1/2+z
3 x,-y,-z
4 -x,y,1/2-z
5 1/2+x,1/2+y,z
6 1/2-x,1/2-y,1/2+z
7 1/2+x,1/2-y,-z
8 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
S1 S 8 0.13170 0.02967 0.19162 1.0000
S2 S 8 0.50295 0.14370 0.05421 1.0000
S3 S 8 0.16994 0.32410 0.25339 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 S1 S # S1
2 2 S2 S # S2
3 3 S3 S # S3
loop_
_topol_node.id
_topol_node.label
1 S1
2 S2
3 S3
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 1 0.9990 1 0 0 0 3 0 0 0 v 4 0.00 # S1 S1
1 3 1.0014 1 0 0 0 1 0 0 0 v 8 0.00 # S1 S3
1 1 1.0021 1 0 0 0 4 0 0 0 v 4 0.00 # S1 S1
1 3 1.0031 1 0 0 0 8 0 -1 0 v 8 0.00 # S1 S3
2 2 0.9951 1 0 0 0 3 0 0 0 v 4 0.00 # S2 S2
2 3 0.9983 1 0 0 0 6 0 0 -1 v 8 0.00 # S2 S3
2 3 0.9986 1 0 0 0 7 0 0 0 v 8 0.00 # S2 S3
2 2 1.0009 1 0 0 0 4 1 0 0 v 4 0.00 # S2 S2
#End of data_2-TOPOS_icn2

data_3-TOPOS_icn3
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn3
_chemical_formula_sum               S
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      4.20442
_cell_length_b                      3.37278
_cell_length_c                      3.16417
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        44.86978
_cell_formula_units_z               24
_symmetry_space_group_name_h-m      'C 2 2 21'
_symmetry_int_tables_number         20
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,1/2+z
3 x,-y,-z
4 -x,y,1/2-z
5 1/2+x,1/2+y,z
6 1/2-x,1/2-y,1/2+z
7 1/2+x,1/2-y,-z
8 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
S1 S 8 0.16629 0.21145 0.42947 1.0000
S2 S 8 0.16710 0.16920 0.11637 1.0000
S3 S 4 0.99221 0.00000 0.00000 1.0000
S4 S 4 0.34063 0.00000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 S1 S # S1
2 2 S2 S # S2
3 3 S3 S # S3
4 4 S4 S # S4
loop_
_topol_node.id
_topol_node.label
1 S1
2 S2
3 S3
4 S4
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 4 0.9989 1 0 0 0 6 0 0 0 v 8 0.00 # S1 S4
1 2 1.0009 1 0 0 0 1 0 0 0 v 8 0.00 # S1 S2
1 2 1.0012 1 0 0 0 6 0 0 0 v 8 0.00 # S1 S2
1 3 1.0013 1 0 0 0 2 1 0 0 v 8 0.00 # S1 S3
2 4 0.9968 1 0 0 0 1 0 0 0 v 8 0.00 # S2 S4
2 3 1.0010 1 0 0 0 1 -1 0 0 v 8 0.00 # S2 S3
#End of data_3-TOPOS_icn3

data_4-TOPOS_icn4
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn4
_chemical_formula_sum               S
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      4.2493
_cell_length_b                      4.2493
_cell_length_c                      1.73409
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        27.11671
_cell_formula_units_z               18
_symmetry_space_group_name_h-m      'R 3 2'
_symmetry_int_tables_number         155
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 x-y,-y,-z
5 -x,-x+y,-z
6 y,x,-z
7 2/3+x,1/3+y,1/3+z
8 1/3+x,2/3+y,2/3+z
9 2/3-y,1/3+x-y,1/3+z
10 1/3-y,2/3+x-y,2/3+z
11 2/3-x+y,1/3-x,1/3+z
12 1/3-x+y,2/3-x,2/3+z
13 2/3+x-y,1/3-y,1/3-z
14 1/3+x-y,2/3-y,2/3-z
15 2/3-x,1/3-x+y,1/3-z
16 1/3-x,2/3-x+y,2/3-z
17 2/3+y,1/3+x,1/3-z
18 1/3+y,2/3+x,2/3-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
S1 S 9 0.00000 0.44445 0.00000 1.0000
S2 S 9 0.77682 0.00000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 S1 S # S1
2 2 S2 S # S2
loop_
_topol_node.id
_topol_node.label
1 S1
2 S2
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 1 1.0015 1 0 0 0 10 0 0 -1 v 9 0.00 # S1 S1
1 2 1.0014 1 0 0 0 11 0 1 0 v 18 0.00 # S1 S2
2 2 0.9957 1 0 0 0 9 0 -1 0 v 9 0.00 # S2 S2
#End of data_4-TOPOS_icn4

data_5-TOPOS_icn5
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn5
_chemical_formula_sum               'O4 S3'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      5.2785
_cell_length_b                      5.2785
_cell_length_c                      5.2785
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        147.0725
_cell_formula_units_z               2
_symmetry_space_group_name_h-m      'P m m m'
_symmetry_int_tables_number         47
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 -x,-y,-z
6 x,y,-z
7 -x,y,z
8 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
O1 O 8 0.21140 0.21140 0.21140 1.0000
S1 S 2 0.00000 0.13400 0.50000 1.0000
S2 S 2 0.13400 0.50000 0.00000 1.0000
S3 S 2 0.50000 0.13400 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 O1 O # O1
2 2 S1 S # S1
3 3 S2 S # S2
4 4 S3 S # S3
loop_
_topol_node.id
_topol_node.label
1 O1
2 S1
3 S2
4 S3
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 4 1.9320 1 0 0 0 1 0 0 0 v 8 0.00 # O1 S3
1 3 1.9320 1 0 0 0 1 0 0 0 v 8 0.00 # O1 S2
1 2 1.9320 1 0 0 0 1 0 0 0 v 8 0.00 # O1 S1
#End of data_5-TOPOS_icn5

data_6-TOPOS_icn6
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn6
_chemical_formula_sum               'O3 S4'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      2.45007
_cell_length_b                      2.45007
_cell_length_c                      4.89666
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        29.39388
_cell_formula_units_z               2
_symmetry_space_group_name_h-m      'P 42/m c m'
_symmetry_int_tables_number         132
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,1/2-z
4 -x,y,1/2-z
5 -y,-x,-z
6 y,x,-z
7 y,-x,1/2+z
8 -y,x,1/2+z
9 -x,-y,-z
10 x,y,-z
11 -x,y,1/2+z
12 x,-y,1/2+z
13 y,x,z
14 -y,-x,z
15 -y,x,1/2-z
16 y,-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
O1 O 4 0.00000 0.50000 0.00000 1.0000
O2 O 2 0.50000 0.50000 0.25000 1.0000
S1 S 8 0.33331 0.33331 0.08329 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 O1 O # O1
2 2 O2 O # O2
3 3 S1 S # S1
loop_
_topol_node.id
_topol_node.label
1 O1
2 O2
3 S1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 3 1.0000 1 0 0 0 6 0 0 0 v 16 0.00 # O1 S1
2 3 1.0000 1 0 0 0 4 1 0 0 v 8 0.00 # O2 S1
#End of data_6-TOPOS_icn6

data_7-TOPOS_icn7
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn7
_chemical_formula_sum               'C3 N O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      4.60193
_cell_length_b                      4.60193
_cell_length_c                      4.60193
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        97.45858
_cell_formula_units_z               8
_symmetry_space_group_name_h-m      'I 21 3'
_symmetry_int_tables_number         199
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2-y,z
3 x,-y,1/2-z
4 1/2-x,y,-z
5 z,x,y
6 y,z,x
7 -z,1/2-x,y
8 1/2-y,z,-x
9 z,-x,1/2-y
10 -y,1/2-z,x
11 1/2-z,x,-y
12 y,-z,1/2-x
13 1/2+x,1/2+y,1/2+z
14 1/2-x,-y,1/2+z
15 1/2+x,1/2-y,-z
16 -x,1/2+y,1/2-z
17 1/2+z,1/2+x,1/2+y
18 1/2+y,1/2+z,1/2+x
19 1/2-z,-x,1/2+y
20 -y,1/2+z,1/2-x
21 1/2+z,1/2-x,-y
22 1/2-y,-z,1/2+x
23 -z,1/2+x,1/2-y
24 1/2+y,1/2-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
C1 C 24 0.09671 0.29944 0.39820 1.0000
N1 N 8 0.06517 0.43483 0.56517 1.0000
O1 O 8 0.26467 0.26467 0.26467 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 N1 N # N1
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 N1
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 1 0.9997 1 0 0 0 2 0 0 0 v 12 0.00 # C1 C1
1 2 0.9998 1 0 0 0 1 0 0 0 v 24 0.00 # C1 N1
1 3 1.0003 1 0 0 0 1 0 0 0 v 24 0.00 # C1 O1
#End of data_7-TOPOS_icn7

data_8-TOPOS_icn8
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn8
_chemical_formula_sum               'C2 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      1.89375
_cell_length_b                      1.89375
_cell_length_c                      3.44983
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        10.71454
_cell_formula_units_z               3
_symmetry_space_group_name_h-m      'P 62 2 2'
_symmetry_int_tables_number         180
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y,x-y,2/3+z
4 -x+y,-x,1/3+z
5 x-y,x,1/3+z
6 y,-x+y,2/3+z
7 x-y,-y,-z
8 -x,-x+y,1/3-z
9 y,x,2/3-z
10 -y,-x,2/3-z
11 x,x-y,1/3-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
C1 C 6 0.26215 0.00000 0.00000 1.0000
O1 O 3 0.00000 0.50000 0.16667 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.0018 1 0 0 0 1 0 -1 0 v 12 0.00 # C1 O1
1 1 0.9929 1 0 0 0 2 0 0 0 v 3 0.00 # C1 C1
#End of data_8-TOPOS_icn8

data_9-TOPOS_icn9
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn9
_chemical_formula_sum               C
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      3.57923
_cell_length_b                      3.57923
_cell_length_c                      3.57923
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        45.85312
_cell_formula_units_z               36
_symmetry_space_group_name_h-m      'I -4 3 d'
_symmetry_int_tables_number         220
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2-y,z
3 x,-y,1/2-z
4 1/2-x,y,-z
5 z,x,y
6 y,z,x
7 -z,1/2-x,y
8 1/2-y,z,-x
9 z,-x,1/2-y
10 -y,1/2-z,x
11 1/2-z,x,-y
12 y,-z,1/2-x
13 1/4+y,1/4+x,1/4+z
14 3/4-y,1/4-x,1/4+z
15 1/4-y,1/4+x,3/4-z
16 1/4+y,3/4-x,1/4-z
17 1/4+x,1/4+z,1/4+y
18 1/4+z,1/4+y,1/4+x
19 3/4-x,1/4-z,1/4+y
20 1/4+z,3/4-y,1/4-x
21 1/4-x,1/4+z,3/4-y
22 3/4-z,1/4-y,1/4+x
23 1/4+x,3/4-z,1/4-y
24 1/4-z,1/4+y,3/4-x
25 1/2+x,1/2+y,1/2+z
26 1/2-x,-y,1/2+z
27 1/2+x,1/2-y,-z
28 -x,1/2+y,1/2-z
29 1/2+z,1/2+x,1/2+y
30 1/2+y,1/2+z,1/2+x
31 1/2-z,-x,1/2+y
32 -y,1/2+z,1/2-x
33 1/2+z,1/2-x,-y
34 1/2-y,-z,1/2+x
35 -z,1/2+x,1/2-y
36 1/2+y,1/2-z,-x
37 3/4+y,3/4+x,3/4+z
38 1/4-y,3/4-x,3/4+z
39 3/4-y,3/4+x,1/4-z
40 3/4+y,1/4-x,3/4-z
41 3/4+x,3/4+z,3/4+y
42 3/4+z,3/4+y,3/4+x
43 1/4-x,3/4-z,3/4+y
44 3/4+z,1/4-y,3/4-x
45 3/4-x,3/4+z,1/4-y
46 1/4-z,3/4-y,3/4+x
47 3/4+x,1/4-z,3/4-y
48 3/4-z,3/4+y,1/4-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
C1 C 24 0.00000 0.25000 0.23622 1.0000
C2 C 12 0.00000 0.25000 0.87500 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 C2 C # C2
loop_
_topol_node.id
_topol_node.label
1 C1
2 C2
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.0016 1 0 0 0 5 -1 0 0 v 48 0.00 # C1 C2
1 1 0.9935 1 0 0 0 15 0 0 0 v 12 0.00 # C1 C1
#End of data_9-TOPOS_icn9

data_10-TOPOS_icn10
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn10
_chemical_formula_sum               'C2 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      5.50285
_cell_length_b                      5.50285
_cell_length_c                      4.08619
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        107.158
_cell_formula_units_z               18
_symmetry_space_group_name_h-m      'R 3 c'
_symmetry_int_tables_number         161
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -x+y,y,1/2+z
5 x,x-y,1/2+z
6 -y,-x,1/2+z
7 2/3+x,1/3+y,1/3+z
8 1/3+x,2/3+y,2/3+z
9 2/3-y,1/3+x-y,1/3+z
10 1/3-y,2/3+x-y,2/3+z
11 2/3-x+y,1/3-x,1/3+z
12 1/3-x+y,2/3-x,2/3+z
13 2/3-x+y,1/3+y,5/6+z
14 1/3-x+y,2/3+y,1/6+z
15 2/3+x,1/3+x-y,5/6+z
16 1/3+x,2/3+x-y,1/6+z
17 2/3-y,1/3-x,5/6+z
18 1/3-y,2/3-x,1/6+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
C1 C 18 0.20745 0.22550 0.29119 1.0000
C2 C 18 0.74254 0.14240 0.00000 1.0000
O1 O 18 0.29693 0.10578 0.28758 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 C2 C # C2
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 C2
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 3 1.0005 1 0 0 0 1 0 0 0 v 18 0.00 # C1 O1
1 2 0.9997 1 0 0 0 16 -1 -1 0 v 18 0.00 # C1 C2
1 3 0.9992 1 0 0 0 18 0 0 0 v 18 0.00 # C1 O1
2 3 1.0003 1 0 0 0 17 0 0 -1 v 18 0.00 # C2 O1
2 3 1.0004 1 0 0 0 4 1 0 -1 v 18 0.00 # C2 O1
#End of data_10-TOPOS_icn10

data_11-TOPOS_icn11
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn11
_chemical_formula_sum               C
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      1.89375
_cell_length_b                      1.89375
_cell_length_c                      3.44983
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        10.71454
_cell_formula_units_z               9
_symmetry_space_group_name_h-m      'P 64 2 2'
_symmetry_int_tables_number         181
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_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
C1 C 6 0.23785 0.00000 0.50000 1.0000
C2 C 3 0.50000 0.00000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 C2 C # C2
loop_
_topol_node.id
_topol_node.label
1 C1
2 C2
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.0018 1 0 0 0 4 1 1 0 v 12 0.00 # C1 C2
1 1 0.9929 1 0 0 0 2 1 0 0 v 3 0.00 # C1 C1
#End of data_11-TOPOS_icn11

data_12-TOPOS_icn12
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn12
_chemical_formula_sum               'C2 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      4.74478
_cell_length_b                      4.74478
_cell_length_c                      4.74478
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        106.8189
_cell_formula_units_z               24
_symmetry_space_group_name_h-m      'I 41 3 2'
_symmetry_int_tables_number         214
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2-y,z
3 x,-y,1/2-z
4 1/2-x,y,-z
5 z,x,y
6 y,z,x
7 -z,1/2-x,y
8 1/2-y,z,-x
9 z,-x,1/2-y
10 -y,1/2-z,x
11 1/2-z,x,-y
12 y,-z,1/2-x
13 1/4-y,1/4-x,1/4-z
14 3/4+y,1/4+x,1/4-z
15 1/4+y,1/4-x,3/4+z
16 1/4-y,3/4+x,1/4+z
17 1/4-x,1/4-z,1/4-y
18 1/4-z,1/4-y,1/4-x
19 3/4+x,1/4+z,1/4-y
20 1/4-z,3/4+y,1/4+x
21 1/4+x,1/4-z,3/4+y
22 3/4+z,1/4+y,1/4-x
23 1/4-x,3/4+z,1/4+y
24 1/4+z,1/4-y,3/4+x
25 1/2+x,1/2+y,1/2+z
26 1/2-x,-y,1/2+z
27 1/2+x,1/2-y,-z
28 -x,1/2+y,1/2-z
29 1/2+z,1/2+x,1/2+y
30 1/2+y,1/2+z,1/2+x
31 1/2-z,-x,1/2+y
32 -y,1/2+z,1/2-x
33 1/2+z,1/2-x,-y
34 1/2-y,-z,1/2+x
35 -z,1/2+x,1/2-y
36 1/2+y,1/2-z,-x
37 3/4-y,3/4-x,3/4-z
38 1/4+y,3/4+x,3/4-z
39 3/4+y,3/4-x,1/4+z
40 3/4-y,1/4+x,3/4+z
41 3/4-x,3/4-z,3/4-y
42 3/4-z,3/4-y,3/4-x
43 1/4+x,3/4+z,3/4-y
44 3/4-z,1/4+y,3/4+x
45 3/4+x,3/4-z,1/4+y
46 1/4+z,3/4+y,3/4-x
47 3/4-x,1/4+z,3/4+y
48 3/4+z,3/4-y,1/4+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
C1 C 24 0.09260 0.34260 0.12500 1.0000
C2 C 24 0.12500 0.24082 0.49082 1.0000
O1 O 24 0.08334 0.37500 0.33334 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 C2 C # C2
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 C2
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 3 1.0014 1 0 0 0 1 0 0 0 v 48 0.00 # C1 O1
1 2 0.9946 1 0 0 0 6 0 0 0 v 24 0.00 # C1 C2
2 3 1.0014 1 0 0 0 11 0 0 1 v 48 0.00 # C2 O1
#End of data_12-TOPOS_icn12

data_13-TOPOS_icn13
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn13
_chemical_formula_sum               'C3 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      2.776
_cell_length_b                      2.776
_cell_length_c                      2.776
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        21.39235
_cell_formula_units_z               4
_symmetry_space_group_name_h-m      'P n -3'
_symmetry_int_tables_number         201
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2-x,1/2-y,z
3 x,1/2-y,1/2-z
4 1/2-x,y,1/2-z
5 z,x,y
6 y,z,x
7 1/2-z,1/2-x,y
8 1/2-y,z,1/2-x
9 z,1/2-x,1/2-y
10 1/2-y,1/2-z,x
11 1/2-z,x,1/2-y
12 y,1/2-z,1/2-x
13 -x,-y,-z
14 1/2+x,1/2+y,-z
15 -x,1/2+y,1/2+z
16 1/2+x,-y,1/2+z
17 -z,-x,-y
18 -y,-z,-x
19 1/2+z,1/2+x,-y
20 1/2+y,-z,1/2+x
21 -z,1/2+x,1/2+y
22 1/2+y,1/2+z,-x
23 1/2+z,-x,1/2+y
24 -y,1/2+z,1/2+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
C1 C 12 0.07042 0.75000 0.25000 1.0000
O1 O 4 0.00000 0.00000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.0007 1 0 0 0 3 0 0 0 v 24 0.00 # C1 O1
1 1 0.9970 1 0 0 0 2 0 1 0 v 6 0.00 # C1 C1
#End of data_13-TOPOS_icn13

data_14-TOPOS_icn14
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn14
_chemical_formula_sum               'C3 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      2.54838
_cell_length_b                      2.54838
_cell_length_c                      3.73553
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        24.25943
_cell_formula_units_z               4
_symmetry_space_group_name_h-m      'P 42/n n m'
_symmetry_int_tables_number         134
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2-x,1/2-y,z
3 x,1/2-y,1/2-z
4 1/2-x,y,1/2-z
5 1/2-y,1/2-x,-z
6 y,x,-z
7 y,1/2-x,1/2+z
8 1/2-y,x,1/2+z
9 -x,-y,-z
10 1/2+x,1/2+y,-z
11 -x,1/2+y,1/2+z
12 1/2+x,-y,1/2+z
13 1/2+y,1/2+x,z
14 -y,-x,z
15 -y,1/2+x,1/2-z
16 1/2+y,-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
C1 C 8 0.25000 0.25000 0.11621 1.0000
C2 C 4 0.25000 0.75000 0.11624 1.0000
O1 O 4 0.00000 0.00000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 C2 C # C2
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 C2
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 3 1.0001 1 0 0 0 2 0 0 0 v 16 0.00 # C1 O1
1 1 0.9996 1 0 0 0 3 0 0 0 v 4 0.00 # C1 C1
2 3 1.0002 1 0 0 0 2 0 0 0 v 8 0.00 # C2 O1
2 2 0.9993 1 0 0 0 3 0 1 0 v 2 0.00 # C2 C2
#End of data_14-TOPOS_icn14

data_15-TOPOS_icn15
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn15
_chemical_formula_sum               'C3 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      2.77588
_cell_length_b                      2.77588
_cell_length_c                      2.77623
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        21.39227
_cell_formula_units_z               4
_symmetry_space_group_name_h-m      'P 42/n n m'
_symmetry_int_tables_number         134
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2-x,1/2-y,z
3 x,1/2-y,1/2-z
4 1/2-x,y,1/2-z
5 1/2-y,1/2-x,-z
6 y,x,-z
7 y,1/2-x,1/2+z
8 1/2-y,x,1/2+z
9 -x,-y,-z
10 1/2+x,1/2+y,-z
11 -x,1/2+y,1/2+z
12 1/2+x,-y,1/2+z
13 1/2+y,1/2+x,z
14 -y,-x,z
15 -y,1/2+x,1/2-z
16 1/2+y,-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
C1 C 4 0.75000 0.25000 0.07043 1.0000
C2 C 8 0.07041 0.25000 0.25000 1.0000
O1 O 4 0.00000 0.00000 0.50000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 C2 C # C2
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 C2
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 3 1.0007 1 0 0 0 4 0 0 0 v 8 0.00 # C1 O1
1 1 0.9971 1 0 0 0 3 0 0 0 v 2 0.00 # C1 C1
2 3 1.0008 1 0 0 0 3 0 0 0 v 16 0.00 # C2 O1
2 2 0.9970 1 0 0 0 2 0 0 0 v 4 0.00 # C2 C2
#End of data_15-TOPOS_icn15

data_16-TOPOS_icn16
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn16
_chemical_formula_sum               'C3 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      4.43069
_cell_length_b                      4.43069
_cell_length_c                      4.43069
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        86.97893
_cell_formula_units_z               16
_symmetry_space_group_name_h-m      'I a -3'
_symmetry_int_tables_number         206
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2-y,z
3 x,-y,1/2-z
4 1/2-x,y,-z
5 z,x,y
6 y,z,x
7 -z,1/2-x,y
8 1/2-y,z,-x
9 z,-x,1/2-y
10 -y,1/2-z,x
11 1/2-z,x,-y
12 y,-z,1/2-x
13 -x,-y,-z
14 x,1/2+y,-z
15 -x,y,1/2+z
16 1/2+x,-y,z
17 -z,-x,-y
18 -y,-z,-x
19 z,1/2+x,-y
20 1/2+y,-z,x
21 -z,x,1/2+y
22 y,1/2+z,-x
23 1/2+z,-x,y
24 -y,z,1/2+x
25 1/2+x,1/2+y,1/2+z
26 1/2-x,-y,1/2+z
27 1/2+x,1/2-y,-z
28 -x,1/2+y,1/2-z
29 1/2+z,1/2+x,1/2+y
30 1/2+y,1/2+z,1/2+x
31 1/2-z,-x,1/2+y
32 -y,1/2+z,1/2-x
33 1/2+z,1/2-x,-y
34 1/2-y,-z,1/2+x
35 -z,1/2+x,1/2-y
36 1/2+y,1/2-z,-x
37 1/2-x,1/2-y,1/2-z
38 1/2+x,y,1/2-z
39 1/2-x,1/2+y,z
40 x,1/2-y,1/2+z
41 1/2-z,1/2-x,1/2-y
42 1/2-y,1/2-z,1/2-x
43 1/2+z,x,1/2-y
44 y,1/2-z,1/2+x
45 1/2-z,1/2+x,y
46 1/2+y,z,1/2-x
47 z,1/2-x,1/2+y
48 1/2-y,1/2+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
C1 C 48 0.07970 0.17043 0.37512 1.0000
O1 O 8 0.50000 0.00000 0.00000 1.0000
O2 O 8 0.25000 0.25000 0.25000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 O1 O # O1
3 3 O2 O # O2
loop_
_topol_node.id
_topol_node.label
1 C1
2 O1
3 O2
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 1 0.9980 1 0 0 0 2 0 0 0 v 24 0.00 # C1 C1
1 2 1.0005 1 0 0 0 6 0 0 0 v 48 0.00 # C1 O1
1 3 1.0005 1 0 0 0 1 0 0 0 v 48 0.00 # C1 O2
#End of data_16-TOPOS_icn16

data_17-TOPOS_icn17
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn17
_chemical_formula_sum               'C3 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      4.43066
_cell_length_b                      4.43066
_cell_length_c                      4.43066
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        86.97716
_cell_formula_units_z               16
_symmetry_space_group_name_h-m      'I a -3 d'
_symmetry_int_tables_number         230
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2-y,z
3 x,-y,1/2-z
4 1/2-x,y,-z
5 z,x,y
6 y,z,x
7 -z,1/2-x,y
8 1/2-y,z,-x
9 z,-x,1/2-y
10 -y,1/2-z,x
11 1/2-z,x,-y
12 y,-z,1/2-x
13 1/4-y,1/4-x,1/4-z
14 3/4+y,1/4+x,1/4-z
15 1/4+y,1/4-x,3/4+z
16 1/4-y,3/4+x,1/4+z
17 1/4-x,1/4-z,1/4-y
18 1/4-z,1/4-y,1/4-x
19 3/4+x,1/4+z,1/4-y
20 1/4-z,3/4+y,1/4+x
21 1/4+x,1/4-z,3/4+y
22 3/4+z,1/4+y,1/4-x
23 1/4-x,3/4+z,1/4+y
24 1/4+z,1/4-y,3/4+x
25 -x,-y,-z
26 x,1/2+y,-z
27 -x,y,1/2+z
28 1/2+x,-y,z
29 -z,-x,-y
30 -y,-z,-x
31 z,1/2+x,-y
32 1/2+y,-z,x
33 -z,x,1/2+y
34 y,1/2+z,-x
35 1/2+z,-x,y
36 -y,z,1/2+x
37 1/4+y,1/4+x,1/4+z
38 3/4-y,1/4-x,1/4+z
39 1/4-y,1/4+x,3/4-z
40 1/4+y,3/4-x,1/4-z
41 1/4+x,1/4+z,1/4+y
42 1/4+z,1/4+y,1/4+x
43 3/4-x,1/4-z,1/4+y
44 1/4+z,3/4-y,1/4-x
45 1/4-x,1/4+z,3/4-y
46 3/4-z,1/4-y,1/4+x
47 1/4+x,3/4-z,1/4-y
48 1/4-z,1/4+y,3/4-x
49 1/2+x,1/2+y,1/2+z
50 1/2-x,-y,1/2+z
51 1/2+x,1/2-y,-z
52 -x,1/2+y,1/2-z
53 1/2+z,1/2+x,1/2+y
54 1/2+y,1/2+z,1/2+x
55 1/2-z,-x,1/2+y
56 -y,1/2+z,1/2-x
57 1/2+z,1/2-x,-y
58 1/2-y,-z,1/2+x
59 -z,1/2+x,1/2-y
60 1/2+y,1/2-z,-x
61 3/4-y,3/4-x,3/4-z
62 1/4+y,3/4+x,3/4-z
63 3/4+y,3/4-x,1/4+z
64 3/4-y,1/4+x,3/4+z
65 3/4-x,3/4-z,3/4-y
66 3/4-z,3/4-y,3/4-x
67 1/4+x,3/4+z,3/4-y
68 3/4-z,1/4+y,3/4+x
69 3/4+x,3/4-z,1/4+y
70 1/4+z,3/4+y,3/4-x
71 3/4-x,1/4+z,3/4+y
72 3/4+z,3/4-y,1/4+x
73 1/2-x,1/2-y,1/2-z
74 1/2+x,y,1/2-z
75 1/2-x,1/2+y,z
76 x,1/2-y,1/2+z
77 1/2-z,1/2-x,1/2-y
78 1/2-y,1/2-z,1/2-x
79 1/2+z,x,1/2-y
80 y,1/2-z,1/2+x
81 1/2-z,1/2+x,y
82 1/2+y,z,1/2-x
83 z,1/2-x,1/2+y
84 1/2-y,1/2+z,x
85 3/4+y,3/4+x,3/4+z
86 1/4-y,3/4-x,3/4+z
87 3/4-y,3/4+x,1/4-z
88 3/4+y,1/4-x,3/4-z
89 3/4+x,3/4+z,3/4+y
90 3/4+z,3/4+y,3/4+x
91 1/4-x,3/4-z,3/4+y
92 3/4+z,1/4-y,3/4-x
93 3/4-x,3/4+z,1/4-y
94 1/4-z,3/4-y,3/4+x
95 3/4+x,1/4-z,3/4-y
96 3/4-z,3/4+y,1/4-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
C1 C 48 0.07964 0.17036 0.12500 1.0000
O1 O 16 0.00000 0.00000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.0005 1 0 0 0 13 0 0 0 v 96 0.00 # C1 O1
1 1 0.9980 1 0 0 0 2 0 0 0 v 24 0.00 # C1 C1
#End of data_17-TOPOS_icn17

data_18-TOPOS_icn18
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn18
_chemical_formula_sum               'C3 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      4.2197
_cell_length_b                      4.2197
_cell_length_c                      4.2197
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        75.13541
_cell_formula_units_z               16
_symmetry_space_group_name_h-m      'I 41 3 2'
_symmetry_int_tables_number         214
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2-y,z
3 x,-y,1/2-z
4 1/2-x,y,-z
5 z,x,y
6 y,z,x
7 -z,1/2-x,y
8 1/2-y,z,-x
9 z,-x,1/2-y
10 -y,1/2-z,x
11 1/2-z,x,-y
12 y,-z,1/2-x
13 1/4-y,1/4-x,1/4-z
14 3/4+y,1/4+x,1/4-z
15 1/4+y,1/4-x,3/4+z
16 1/4-y,3/4+x,1/4+z
17 1/4-x,1/4-z,1/4-y
18 1/4-z,1/4-y,1/4-x
19 3/4+x,1/4+z,1/4-y
20 1/4-z,3/4+y,1/4+x
21 1/4+x,1/4-z,3/4+y
22 3/4+z,1/4+y,1/4-x
23 1/4-x,3/4+z,1/4+y
24 1/4+z,1/4-y,3/4+x
25 1/2+x,1/2+y,1/2+z
26 1/2-x,-y,1/2+z
27 1/2+x,1/2-y,-z
28 -x,1/2+y,1/2-z
29 1/2+z,1/2+x,1/2+y
30 1/2+y,1/2+z,1/2+x
31 1/2-z,-x,1/2+y
32 -y,1/2+z,1/2-x
33 1/2+z,1/2-x,-y
34 1/2-y,-z,1/2+x
35 -z,1/2+x,1/2-y
36 1/2+y,1/2-z,-x
37 3/4-y,3/4-x,3/4-z
38 1/4+y,3/4+x,3/4-z
39 3/4+y,3/4-x,1/4+z
40 3/4-y,1/4+x,3/4+z
41 3/4-x,3/4-z,3/4-y
42 3/4-z,3/4-y,3/4-x
43 1/4+x,3/4+z,3/4-y
44 3/4-z,1/4+y,3/4+x
45 3/4+x,3/4-z,1/4+y
46 1/4+z,3/4+y,3/4-x
47 3/4-x,1/4+z,3/4+y
48 3/4+z,3/4-y,1/4+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
C1 C 24 0.00000 0.25000 0.00736 1.0000
C2 C 24 0.16638 0.37500 0.41638 1.0000
O1 O 16 0.01305 0.01305 0.01305 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 C2 C # C2
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 C2
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 3 1.0017 1 0 0 0 2 0 0 0 v 48 0.00 # C1 O1
1 1 0.9928 1 0 0 0 13 0 0 0 v 12 0.00 # C1 C1
2 3 1.0006 1 0 0 0 28 0 0 0 v 48 0.00 # C2 O1
2 2 0.9980 1 0 0 0 4 0 0 1 v 12 0.00 # C2 C2
#End of data_18-TOPOS_icn18

data_19-TOPOS_icn19
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn19
_chemical_formula_sum               'C3 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      4.19386
_cell_length_b                      4.19386
_cell_length_c                      4.19386
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        73.76355
_cell_formula_units_z               16
_symmetry_space_group_name_h-m      'I 41 3 2'
_symmetry_int_tables_number         214
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2-y,z
3 x,-y,1/2-z
4 1/2-x,y,-z
5 z,x,y
6 y,z,x
7 -z,1/2-x,y
8 1/2-y,z,-x
9 z,-x,1/2-y
10 -y,1/2-z,x
11 1/2-z,x,-y
12 y,-z,1/2-x
13 1/4-y,1/4-x,1/4-z
14 3/4+y,1/4+x,1/4-z
15 1/4+y,1/4-x,3/4+z
16 1/4-y,3/4+x,1/4+z
17 1/4-x,1/4-z,1/4-y
18 1/4-z,1/4-y,1/4-x
19 3/4+x,1/4+z,1/4-y
20 1/4-z,3/4+y,1/4+x
21 1/4+x,1/4-z,3/4+y
22 3/4+z,1/4+y,1/4-x
23 1/4-x,3/4+z,1/4+y
24 1/4+z,1/4-y,3/4+x
25 1/2+x,1/2+y,1/2+z
26 1/2-x,-y,1/2+z
27 1/2+x,1/2-y,-z
28 -x,1/2+y,1/2-z
29 1/2+z,1/2+x,1/2+y
30 1/2+y,1/2+z,1/2+x
31 1/2-z,-x,1/2+y
32 -y,1/2+z,1/2-x
33 1/2+z,1/2-x,-y
34 1/2-y,-z,1/2+x
35 -z,1/2+x,1/2-y
36 1/2+y,1/2-z,-x
37 3/4-y,3/4-x,3/4-z
38 1/4+y,3/4+x,3/4-z
39 3/4+y,3/4-x,1/4+z
40 3/4-y,1/4+x,3/4+z
41 3/4-x,3/4-z,3/4-y
42 3/4-z,3/4-y,3/4-x
43 1/4+x,3/4+z,3/4-y
44 3/4-z,1/4+y,3/4+x
45 3/4+x,3/4-z,1/4+y
46 1/4+z,3/4+y,3/4-x
47 3/4-x,1/4+z,3/4+y
48 3/4+z,3/4-y,1/4+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
C1 C 24 0.00000 0.25000 0.00691 1.0000
C2 C 24 0.32808 0.37500 0.42192 1.0000
O1 O 16 0.00799 0.00799 0.00799 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 C2 C # C2
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 C2
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 3 1.0155 1 0 0 0 2 0 0 0 v 48 0.00 # C1 O1
1 1 0.9905 1 0 0 0 13 0 0 0 v 12 0.00 # C1 C1
2 3 1.0053 1 0 0 0 25 0 0 0 v 48 0.00 # C2 O1
2 2 0.9262 1 0 0 0 4 0 0 1 v 12 0.00 # C2 C2
#End of data_19-TOPOS_icn19

data_20-TOPOS_icn20
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn20
_chemical_formula_sum               'C3 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      3.79654
_cell_length_b                      3.79654
_cell_length_c                      3.79654
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        54.72225
_cell_formula_units_z               16
_symmetry_space_group_name_h-m      'I a -3'
_symmetry_int_tables_number         206
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2-y,z
3 x,-y,1/2-z
4 1/2-x,y,-z
5 z,x,y
6 y,z,x
7 -z,1/2-x,y
8 1/2-y,z,-x
9 z,-x,1/2-y
10 -y,1/2-z,x
11 1/2-z,x,-y
12 y,-z,1/2-x
13 -x,-y,-z
14 x,1/2+y,-z
15 -x,y,1/2+z
16 1/2+x,-y,z
17 -z,-x,-y
18 -y,-z,-x
19 z,1/2+x,-y
20 1/2+y,-z,x
21 -z,x,1/2+y
22 y,1/2+z,-x
23 1/2+z,-x,y
24 -y,z,1/2+x
25 1/2+x,1/2+y,1/2+z
26 1/2-x,-y,1/2+z
27 1/2+x,1/2-y,-z
28 -x,1/2+y,1/2-z
29 1/2+z,1/2+x,1/2+y
30 1/2+y,1/2+z,1/2+x
31 1/2-z,-x,1/2+y
32 -y,1/2+z,1/2-x
33 1/2+z,1/2-x,-y
34 1/2-y,-z,1/2+x
35 -z,1/2+x,1/2-y
36 1/2+y,1/2-z,-x
37 1/2-x,1/2-y,1/2-z
38 1/2+x,y,1/2-z
39 1/2-x,1/2+y,z
40 x,1/2-y,1/2+z
41 1/2-z,1/2-x,1/2-y
42 1/2-y,1/2-z,1/2-x
43 1/2+z,x,1/2-y
44 y,1/2-z,1/2+x
45 1/2-z,1/2+x,y
46 1/2+y,z,1/2-x
47 z,1/2-x,1/2+y
48 1/2-y,1/2+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
C1 C 48 0.00009 0.11912 0.30958 1.0000
O1 O 16 0.05956 0.05956 0.05956 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.0016 1 0 0 0 1 0 0 0 v 48 0.00 # C1 O1
1 1 0.9938 1 0 0 0 2 0 0 0 v 24 0.00 # C1 C1
1 2 1.0016 1 0 0 0 15 0 0 0 v 48 0.00 # C1 O1
#End of data_20-TOPOS_icn20

data_21-TOPOS_icn21
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn21
_chemical_formula_sum               'C3 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      3.5931
_cell_length_b                      3.5931
_cell_length_c                      3.5931
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        46.38824
_cell_formula_units_z               16
_symmetry_space_group_name_h-m      'I 41 3 2'
_symmetry_int_tables_number         214
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2-y,z
3 x,-y,1/2-z
4 1/2-x,y,-z
5 z,x,y
6 y,z,x
7 -z,1/2-x,y
8 1/2-y,z,-x
9 z,-x,1/2-y
10 -y,1/2-z,x
11 1/2-z,x,-y
12 y,-z,1/2-x
13 1/4-y,1/4-x,1/4-z
14 3/4+y,1/4+x,1/4-z
15 1/4+y,1/4-x,3/4+z
16 1/4-y,3/4+x,1/4+z
17 1/4-x,1/4-z,1/4-y
18 1/4-z,1/4-y,1/4-x
19 3/4+x,1/4+z,1/4-y
20 1/4-z,3/4+y,1/4+x
21 1/4+x,1/4-z,3/4+y
22 3/4+z,1/4+y,1/4-x
23 1/4-x,3/4+z,1/4+y
24 1/4+z,1/4-y,3/4+x
25 1/2+x,1/2+y,1/2+z
26 1/2-x,-y,1/2+z
27 1/2+x,1/2-y,-z
28 -x,1/2+y,1/2-z
29 1/2+z,1/2+x,1/2+y
30 1/2+y,1/2+z,1/2+x
31 1/2-z,-x,1/2+y
32 -y,1/2+z,1/2-x
33 1/2+z,1/2-x,-y
34 1/2-y,-z,1/2+x
35 -z,1/2+x,1/2-y
36 1/2+y,1/2-z,-x
37 3/4-y,3/4-x,3/4-z
38 1/4+y,3/4+x,3/4-z
39 3/4+y,3/4-x,1/4+z
40 3/4-y,1/4+x,3/4+z
41 3/4-x,3/4-z,3/4-y
42 3/4-z,3/4-y,3/4-x
43 1/4+x,3/4+z,3/4-y
44 3/4-z,1/4+y,3/4+x
45 3/4+x,3/4-z,1/4+y
46 1/4+z,3/4+y,3/4-x
47 3/4-x,1/4+z,3/4+y
48 3/4+z,3/4-y,1/4+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
C1 C 48 0.13630 0.25001 0.37498 1.0000
O1 O 8 0.12500 0.12500 0.12500 1.0000
O2 O 8 0.37500 0.37500 0.37500 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 O1 O # O1
3 3 O2 O # O2
loop_
_topol_node.id
_topol_node.label
1 C1
2 O1
3 O2
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.0051 1 0 0 0 1 0 0 0 v 48 0.00 # C1 O1
1 1 0.9795 1 0 0 0 2 0 0 0 v 24 0.00 # C1 C1
1 3 1.0052 1 0 0 0 4 0 0 1 v 48 0.00 # C1 O2
#End of data_21-TOPOS_icn21

data_22-TOPOS_icn22
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn22
_chemical_formula_sum               'C3 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      4.09382
_cell_length_b                      4.09382
_cell_length_c                      4.09382
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        68.60982
_cell_formula_units_z               16
_symmetry_space_group_name_h-m      'I 21 3'
_symmetry_int_tables_number         199
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2-y,z
3 x,-y,1/2-z
4 1/2-x,y,-z
5 z,x,y
6 y,z,x
7 -z,1/2-x,y
8 1/2-y,z,-x
9 z,-x,1/2-y
10 -y,1/2-z,x
11 1/2-z,x,-y
12 y,-z,1/2-x
13 1/2+x,1/2+y,1/2+z
14 1/2-x,-y,1/2+z
15 1/2+x,1/2-y,-z
16 -x,1/2+y,1/2-z
17 1/2+z,1/2+x,1/2+y
18 1/2+y,1/2+z,1/2+x
19 1/2-z,-x,1/2+y
20 -y,1/2+z,1/2-x
21 1/2+z,1/2-x,-y
22 1/2-y,-z,1/2+x
23 -z,1/2+x,1/2-y
24 1/2+y,1/2-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
C1 C 24 0.02271 0.13065 0.34586 1.0000
C2 C 12 0.54525 0.00000 0.75000 1.0000
C3 C 12 0.25000 0.71005 0.00000 1.0000
O1 O 8 0.12299 0.12299 0.12299 1.0000
O2 O 8 0.06459 0.43541 0.56459 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 C2 C # C2
3 3 C3 C # C3
4 4 O1 O # O1
5 5 O2 O # O2
loop_
_topol_node.id
_topol_node.label
1 C1
2 C2
3 C3
4 O1
5 O2
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 1 0.9947 1 0 0 0 2 0 0 0 v 12 0.00 # C1 C1
1 5 1.0013 1 0 0 0 2 0 0 0 v 24 0.00 # C1 O2
1 4 1.0010 1 0 0 0 1 0 0 0 v 24 0.00 # C1 O1
2 4 0.9991 1 0 0 0 4 0 0 1 v 24 0.00 # C2 O1
2 3 1.0018 1 0 0 0 8 1 0 1 v 12 0.00 # C2 C3
3 5 1.0003 1 0 0 0 6 0 0 0 v 24 0.00 # C3 O2
#End of data_22-TOPOS_icn22

data_23-TOPOS_icn23
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn23
_chemical_formula_sum               'C4 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      2.12045
_cell_length_b                      2.12045
_cell_length_c                      2.45424
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        11.03502
_cell_formula_units_z               2
_symmetry_space_group_name_h-m      'I 4 2 2'
_symmetry_int_tables_number         97
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 -y,-x,-z
6 y,x,-z
7 y,-x,z
8 -y,x,z
9 1/2+x,1/2+y,1/2+z
10 1/2-x,1/2-y,1/2+z
11 1/2+x,1/2-y,1/2-z
12 1/2-x,1/2+y,1/2-z
13 1/2-y,1/2-x,1/2-z
14 1/2+y,1/2+x,1/2-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
C1 C 8 0.33383 0.16617 0.25000 1.0000
O1 O 2 0.00000 0.00000 0.50000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.0008 1 0 0 0 9 0 0 -1 v 16 0.00 # C1 O1
1 1 0.9966 1 0 0 0 2 1 0 0 v 4 0.00 # C1 C1
#End of data_23-TOPOS_icn23

data_24-TOPOS_icn24
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn24
_chemical_formula_sum               'C6 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      1.7889
_cell_length_b                      1.7889
_cell_length_c                      1.7889
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        5.724772
_cell_formula_units_z               2
_symmetry_space_group_name_h-m      'P m -3 n'
_symmetry_int_tables_number         223
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 z,x,y
6 y,z,x
7 -z,-x,y
8 -y,z,-x
9 z,-x,-y
10 -y,-z,x
11 -z,x,-y
12 y,-z,-x
13 1/2-y,1/2-x,1/2-z
14 1/2+y,1/2+x,1/2-z
15 1/2+y,1/2-x,1/2+z
16 1/2-y,1/2+x,1/2+z
17 1/2-x,1/2-z,1/2-y
18 1/2-z,1/2-y,1/2-x
19 1/2+x,1/2+z,1/2-y
20 1/2-z,1/2+y,1/2+x
21 1/2+x,1/2-z,1/2+y
22 1/2+z,1/2+y,1/2-x
23 1/2-x,1/2+z,1/2+y
24 1/2+z,1/2-y,1/2+x
25 -x,-y,-z
26 x,y,-z
27 -x,y,z
28 x,-y,z
29 -z,-x,-y
30 -y,-z,-x
31 z,x,-y
32 y,-z,x
33 -z,x,y
34 y,z,-x
35 z,-x,y
36 -y,z,x
37 1/2+y,1/2+x,1/2+z
38 1/2-y,1/2-x,1/2+z
39 1/2-y,1/2+x,1/2-z
40 1/2+y,1/2-x,1/2-z
41 1/2+x,1/2+z,1/2+y
42 1/2+z,1/2+y,1/2+x
43 1/2-x,1/2-z,1/2+y
44 1/2+z,1/2-y,1/2-x
45 1/2-x,1/2+z,1/2-y
46 1/2-z,1/2-y,1/2+x
47 1/2+x,1/2-z,1/2-y
48 1/2-z,1/2+y,1/2-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
C1 C 12 0.08333 0.00000 0.50000 1.0000
O1 O 2 0.00000 0.00000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 0.9068 1 0 0 0 1 0 0 1 v 24 0.00 # C1 O1
1 1 0.5963 1 0 0 0 17 0 0 0 v 6 0.00 # C1 C1
#End of data_24-TOPOS_icn24

data_25-TOPOS_icn25
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn25
_chemical_formula_sum               'C6 O'
_citation_special_details
;
Citation details: . File: 39&6_derived.cif. 
;
_cell_length_a                      2.21608
_cell_length_b                      2.21608
_cell_length_c                      2.21608
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        10.88319
_cell_formula_units_z               2
_symmetry_space_group_name_h-m      'P 42 3 2'
_symmetry_int_tables_number         208
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 z,x,y
6 y,z,x
7 -z,-x,y
8 -y,z,-x
9 z,-x,-y
10 -y,-z,x
11 -z,x,-y
12 y,-z,-x
13 1/2-y,1/2-x,1/2-z
14 1/2+y,1/2+x,1/2-z
15 1/2+y,1/2-x,1/2+z
16 1/2-y,1/2+x,1/2+z
17 1/2-x,1/2-z,1/2-y
18 1/2-z,1/2-y,1/2-x
19 1/2+x,1/2+z,1/2-y
20 1/2-z,1/2+y,1/2+x
21 1/2+x,1/2-z,1/2+y
22 1/2+z,1/2+y,1/2-x
23 1/2-x,1/2+z,1/2+y
24 1/2+z,1/2-y,1/2+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
C1 C 12 0.15866 0.25000 0.34134 1.0000
O1 O 2 0.00000 0.00000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.0014 1 0 0 0 13 0 0 0 v 24 0.00 # C1 O1
1 1 0.9945 1 0 0 0 4 0 0 1 v 6 0.00 # C1 C1
#End of data_25-TOPOS_icn25

data_26-TOPOS_icn26
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn26
_chemical_formula_sum               'C12 O'
_citation_special_details
;
Citation details: . File: 39&6_derived.cif. 
;
_cell_length_a                      2.18345
_cell_length_b                      2.18345
_cell_length_c                      2.18345
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        10.4095
_cell_formula_units_z               2
_symmetry_space_group_name_h-m      'I m -3 m'
_symmetry_int_tables_number         229
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 z,x,y
6 y,z,x
7 -z,-x,y
8 -y,z,-x
9 z,-x,-y
10 -y,-z,x
11 -z,x,-y
12 y,-z,-x
13 -y,-x,-z
14 y,x,-z
15 y,-x,z
16 -y,x,z
17 -x,-z,-y
18 -z,-y,-x
19 x,z,-y
20 -z,y,x
21 x,-z,y
22 z,y,-x
23 -x,z,y
24 z,-y,x
25 -x,-y,-z
26 x,y,-z
27 -x,y,z
28 x,-y,z
29 -z,-x,-y
30 -y,-z,-x
31 z,x,-y
32 y,-z,x
33 -z,x,y
34 y,z,-x
35 z,-x,y
36 -y,z,x
37 y,x,z
38 -y,-x,z
39 -y,x,-z
40 y,-x,-z
41 x,z,y
42 z,y,x
43 -x,-z,y
44 z,-y,-x
45 -x,z,-y
46 -z,-y,x
47 x,-z,-y
48 -z,y,-x
49 1/2+x,1/2+y,1/2+z
50 1/2-x,1/2-y,1/2+z
51 1/2+x,1/2-y,1/2-z
52 1/2-x,1/2+y,1/2-z
53 1/2+z,1/2+x,1/2+y
54 1/2+y,1/2+z,1/2+x
55 1/2-z,1/2-x,1/2+y
56 1/2-y,1/2+z,1/2-x
57 1/2+z,1/2-x,1/2-y
58 1/2-y,1/2-z,1/2+x
59 1/2-z,1/2+x,1/2-y
60 1/2+y,1/2-z,1/2-x
61 1/2-y,1/2-x,1/2-z
62 1/2+y,1/2+x,1/2-z
63 1/2+y,1/2-x,1/2+z
64 1/2-y,1/2+x,1/2+z
65 1/2-x,1/2-z,1/2-y
66 1/2-z,1/2-y,1/2-x
67 1/2+x,1/2+z,1/2-y
68 1/2-z,1/2+y,1/2+x
69 1/2+x,1/2-z,1/2+y
70 1/2+z,1/2+y,1/2-x
71 1/2-x,1/2+z,1/2+y
72 1/2+z,1/2-y,1/2+x
73 1/2-x,1/2-y,1/2-z
74 1/2+x,1/2+y,1/2-z
75 1/2-x,1/2+y,1/2+z
76 1/2+x,1/2-y,1/2+z
77 1/2-z,1/2-x,1/2-y
78 1/2-y,1/2-z,1/2-x
79 1/2+z,1/2+x,1/2-y
80 1/2+y,1/2-z,1/2+x
81 1/2-z,1/2+x,1/2+y
82 1/2+y,1/2+z,1/2-x
83 1/2+z,1/2-x,1/2+y
84 1/2-y,1/2+z,1/2+x
85 1/2+y,1/2+x,1/2+z
86 1/2-y,1/2-x,1/2+z
87 1/2-y,1/2+x,1/2-z
88 1/2+y,1/2-x,1/2-z
89 1/2+x,1/2+z,1/2+y
90 1/2+z,1/2+y,1/2+x
91 1/2-x,1/2-z,1/2+y
92 1/2+z,1/2-y,1/2-x
93 1/2-x,1/2+z,1/2-y
94 1/2-z,1/2-y,1/2+x
95 1/2+x,1/2-z,1/2-y
96 1/2-z,1/2+y,1/2-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
C1 C 24 0.00000 0.14780 0.50000 1.0000
O1 O 2 0.00000 0.00000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.1384 1 0 0 0 1 0 0 1 v 48 0.00 # C1 O1
1 1 0.4463 1 0 0 0 66 0 0 0 v 12 0.00 # C1 C1
#End of data_26-TOPOS_icn26

data_27-TOPOS_icn27
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn27
_chemical_formula_sum               'C6 N O2'
_citation_special_details
;
Citation details: . File: 39&6_derived.cif. 
;
_cell_length_a                      4.11415
_cell_length_b                      4.11415
_cell_length_c                      4.11415
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        69.63705
_cell_formula_units_z               8
_symmetry_space_group_name_h-m      'F 41 3 2'
_symmetry_int_tables_number         210
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 z,x,y
6 y,z,x
7 -z,-x,y
8 -y,z,-x
9 z,-x,-y
10 -y,-z,x
11 -z,x,-y
12 y,-z,-x
13 1/4-y,1/4-x,1/4-z
14 1/4+y,1/4+x,1/4-z
15 1/4+y,1/4-x,1/4+z
16 1/4-y,1/4+x,1/4+z
17 1/4-x,1/4-z,1/4-y
18 1/4-z,1/4-y,1/4-x
19 1/4+x,1/4+z,1/4-y
20 1/4-z,1/4+y,1/4+x
21 1/4+x,1/4-z,1/4+y
22 1/4+z,1/4+y,1/4-x
23 1/4-x,1/4+z,1/4+y
24 1/4+z,1/4-y,1/4+x
25 x,1/2+y,1/2+z
26 1/2+x,y,1/2+z
27 1/2+x,1/2+y,z
28 -x,1/2-y,1/2+z
29 1/2-x,-y,1/2+z
30 1/2-x,1/2-y,z
31 x,1/2-y,1/2-z
32 1/2+x,-y,1/2-z
33 1/2+x,1/2-y,-z
34 -x,1/2+y,1/2-z
35 1/2-x,y,1/2-z
36 1/2-x,1/2+y,-z
37 z,1/2+x,1/2+y
38 1/2+z,x,1/2+y
39 1/2+z,1/2+x,y
40 y,1/2+z,1/2+x
41 1/2+y,z,1/2+x
42 1/2+y,1/2+z,x
43 -z,1/2-x,1/2+y
44 1/2-z,-x,1/2+y
45 1/2-z,1/2-x,y
46 -y,1/2+z,1/2-x
47 1/2-y,z,1/2-x
48 1/2-y,1/2+z,-x
49 z,1/2-x,1/2-y
50 1/2+z,-x,1/2-y
51 1/2+z,1/2-x,-y
52 -y,1/2-z,1/2+x
53 1/2-y,-z,1/2+x
54 1/2-y,1/2-z,x
55 -z,1/2+x,1/2-y
56 1/2-z,x,1/2-y
57 1/2-z,1/2+x,-y
58 y,1/2-z,1/2-x
59 1/2+y,-z,1/2-x
60 1/2+y,1/2-z,-x
61 1/4-y,3/4-x,3/4-z
62 3/4-y,1/4-x,3/4-z
63 3/4-y,3/4-x,1/4-z
64 1/4+y,3/4+x,3/4-z
65 3/4+y,1/4+x,3/4-z
66 3/4+y,3/4+x,1/4-z
67 1/4+y,3/4-x,3/4+z
68 3/4+y,1/4-x,3/4+z
69 3/4+y,3/4-x,1/4+z
70 1/4-y,3/4+x,3/4+z
71 3/4-y,1/4+x,3/4+z
72 3/4-y,3/4+x,1/4+z
73 1/4-x,3/4-z,3/4-y
74 3/4-x,1/4-z,3/4-y
75 3/4-x,3/4-z,1/4-y
76 1/4-z,3/4-y,3/4-x
77 3/4-z,1/4-y,3/4-x
78 3/4-z,3/4-y,1/4-x
79 1/4+x,3/4+z,3/4-y
80 3/4+x,1/4+z,3/4-y
81 3/4+x,3/4+z,1/4-y
82 1/4-z,3/4+y,3/4+x
83 3/4-z,1/4+y,3/4+x
84 3/4-z,3/4+y,1/4+x
85 1/4+x,3/4-z,3/4+y
86 3/4+x,1/4-z,3/4+y
87 3/4+x,3/4-z,1/4+y
88 1/4+z,3/4+y,3/4-x
89 3/4+z,1/4+y,3/4-x
90 3/4+z,3/4+y,1/4-x
91 1/4-x,3/4+z,3/4+y
92 3/4-x,1/4+z,3/4+y
93 3/4-x,3/4+z,1/4+y
94 1/4+z,3/4-y,3/4+x
95 3/4+z,1/4-y,3/4+x
96 3/4+z,3/4-y,1/4+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
C1 C 48 0.04677 0.12500 0.20323 1.0000
N1 N 8 0.00000 0.00000 0.00000 1.0000
O1 O 16 0.12500 0.12500 0.62500 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 N1 N # N1
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 N1
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.0003 1 0 0 0 13 0 0 0 v 96 0.00 # C1 N1
1 3 0.9994 1 0 0 0 4 0 0 1 v 48 0.00 # C1 O1
#End of data_27-TOPOS_icn27

data_28-TOPOS_icn28
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn28
_chemical_formula_sum               'C12 N8 O3'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      2.77525
_cell_length_b                      2.77525
_cell_length_c                      2.77525
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        21.37501
_cell_formula_units_z               1
_symmetry_space_group_name_h-m      'P 4 3 2'
_symmetry_int_tables_number         207
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 z,x,y
6 y,z,x
7 -z,-x,y
8 -y,z,-x
9 z,-x,-y
10 -y,-z,x
11 -z,x,-y
12 y,-z,-x
13 -y,-x,-z
14 y,x,-z
15 y,-x,z
16 -y,x,z
17 -x,-z,-y
18 -z,-y,-x
19 x,z,-y
20 -z,y,x
21 x,-z,y
22 z,y,-x
23 -x,z,y
24 z,-y,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
C1 C 12 0.00000 0.35383 0.50000 1.0000
N1 N 8 0.28466 0.28466 0.28466 1.0000
O1 O 3 0.00000 0.00000 0.50000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 N1 N # N1
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 N1
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.0090 1 0 0 0 4 0 0 1 v 24 0.00 # C1 N1
1 3 0.9820 1 0 0 0 1 0 0 0 v 12 0.00 # C1 O1
#End of data_28-TOPOS_icn28

data_29-TOPOS_icn29
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn29
_chemical_formula_sum               'C4 N2 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      3.266
_cell_length_b                      3.266
_cell_length_c                      1.1547
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        10.66675
_cell_formula_units_z               3
_symmetry_space_group_name_h-m      'P 6 2 2'
_symmetry_int_tables_number         177
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y,x-y,z
4 -x+y,-x,z
5 x-y,x,z
6 y,-x+y,z
7 x-y,-y,-z
8 -x,-x+y,-z
9 y,x,-z
10 -y,-x,-z
11 x,x-y,-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
C1 C 6 0.50000 0.50000 0.66667 1.0000
C2 C 6 0.41667 0.58333 0.00000 1.0000
N1 N 6 0.25000 0.50000 0.50000 1.0000
O1 O 3 0.00000 0.50000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 C2 C # C2
3 3 N1 N # N1
4 4 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 C2
3 N1
4 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 3 0.8389 1 0 0 0 3 1 1 0 v 12 0.00 # C1 N1
1 4 0.3849 1 0 0 0 3 1 1 1 v 6 0.00 # C1 O1
2 3 0.7454 1 0 0 0 1 0 0 -1 v 12 0.00 # C2 N1
2 4 0.4714 1 0 0 0 3 1 1 0 v 6 0.00 # C2 O1
#End of data_29-TOPOS_icn29

data_30-TOPOS_icn30
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn30
_chemical_formula_sum               'C4 N2 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      6.0955
_cell_length_b                      6.0955
_cell_length_c                      2.31337
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        74.43795
_cell_formula_units_z               3
_symmetry_space_group_name_h-m      'P 6/m m m'
_symmetry_int_tables_number         191
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y,x-y,z
4 -x+y,-x,z
5 x-y,x,z
6 y,-x+y,z
7 x-y,-y,-z
8 -x,-x+y,-z
9 y,x,-z
10 -y,-x,-z
11 x,x-y,-z
12 -x+y,y,-z
13 -x,-y,-z
14 x,y,-z
15 y,-x+y,-z
16 x-y,x,-z
17 -x+y,-x,-z
18 -y,x-y,-z
19 -x+y,y,z
20 x,x-y,z
21 -y,-x,z
22 y,x,z
23 -x,-x+y,z
24 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
C1 C 12 0.15087 0.57543 0.26180 1.0000
N1 N 6 0.28758 0.57515 0.50000 1.0000
O1 O 3 0.00000 0.50000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 N1 N # N1
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 N1
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 0.9997 1 0 0 0 4 0 1 0 v 24 0.00 # C1 N1
1 3 1.0005 1 0 0 0 1 0 0 0 v 12 0.00 # C1 O1
#End of data_30-TOPOS_icn30

data_31-TOPOS_icn31
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn31
_chemical_formula_sum               'C4 N2 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      4.93261
_cell_length_b                      4.93261
_cell_length_c                      2.36698
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        49.87453
_cell_formula_units_z               3
_symmetry_space_group_name_h-m      'P 6/m m m'
_symmetry_int_tables_number         191
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y,x-y,z
4 -x+y,-x,z
5 x-y,x,z
6 y,-x+y,z
7 x-y,-y,-z
8 -x,-x+y,-z
9 y,x,-z
10 -y,-x,-z
11 x,x-y,-z
12 -x+y,y,-z
13 -x,-y,-z
14 x,y,-z
15 y,-x+y,-z
16 x-y,x,-z
17 -x+y,-x,-z
18 -y,x-y,-z
19 -x+y,y,z
20 x,x-y,z
21 -y,-x,z
22 y,x,z
23 -x,-x+y,z
24 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
C1 C 12 0.00000 0.35929 0.30438 1.0000
N1 N 6 0.17965 0.35930 0.50000 1.0000
O1 O 3 0.00000 0.50000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 N1 N # N1
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 N1
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 0.9998 1 0 0 0 5 0 0 0 v 24 0.00 # C1 N1
1 3 1.0004 1 0 0 0 1 0 0 0 v 12 0.00 # C1 O1
#End of data_31-TOPOS_icn31

data_32-TOPOS_icn32
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn32
_chemical_formula_sum               'C4 N2 O'
_citation_special_details
;
Citation details: . File: 39&6_derived.cif. 
;
_cell_length_a                      5.88545
_cell_length_b                      5.88545
_cell_length_c                      1.65287
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        49.58253
_cell_formula_units_z               3
_symmetry_space_group_name_h-m      'P -6 2 m'
_symmetry_int_tables_number         189
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 x-y,-y,-z
5 -x,-x+y,-z
6 y,x,-z
7 y,x,z
8 -x,-x+y,z
9 x-y,-y,z
10 x,y,-z
11 -x+y,-x,-z
12 -y,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
C1 C 6 0.00000 0.42839 0.31940 1.0000
C2 C 6 0.25716 0.42701 0.00000 1.0000
N1 N 6 0.16153 0.42735 0.50000 1.0000
O1 O 3 0.00000 0.57261 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 C2 C # C2
3 3 N1 N # N1
4 4 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 C2
3 N1
4 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 3 0.9994 1 0 0 0 5 0 0 1 v 12 0.00 # C1 N1
1 4 0.9996 1 0 0 0 1 0 0 0 v 6 0.00 # C1 O1
2 3 1.0005 1 0 0 0 1 0 0 -1 v 12 0.00 # C2 N1
2 4 1.0008 1 0 0 0 2 1 1 0 v 6 0.00 # C2 O1
#End of data_32-TOPOS_icn32

data_33-TOPOS_icn33
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn33
_chemical_formula_sum               'C4 N2 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      3.266
_cell_length_b                      3.266
_cell_length_c                      1.1547
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        10.66675
_cell_formula_units_z               3
_symmetry_space_group_name_h-m      'P 6/m'
_symmetry_int_tables_number         175
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y,x-y,z
4 -x+y,-x,z
5 x-y,x,z
6 y,-x+y,z
7 -x,-y,-z
8 x,y,-z
9 y,-x+y,-z
10 x-y,x,-z
11 -x+y,-x,-z
12 -y,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
C1 C 6 0.50000 0.50000 0.66667 1.0000
C2 C 6 0.50000 0.66667 0.00000 1.0000
N1 N 6 0.25000 0.50000 0.50000 1.0000
O1 O 3 0.00000 0.50000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 C2 C # C2
3 3 N1 N # N1
4 4 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 C2
3 N1
4 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 3 0.8389 1 0 0 0 1 0 0 0 v 12 0.00 # C1 N1
1 4 0.3849 1 0 0 0 3 1 1 1 v 6 0.00 # C1 O1
2 3 0.6383 1 0 0 0 3 1 1 -1 v 12 0.00 # C2 N1
2 4 0.5443 1 0 0 0 3 1 1 0 v 6 0.00 # C2 O1
#End of data_33-TOPOS_icn33

data_34-TOPOS_icn34
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn34
_chemical_formula_sum               'C4 N2 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      2.37485
_cell_length_b                      2.37485
_cell_length_c                      2.16458
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        12.20804
_cell_formula_units_z               2
_symmetry_space_group_name_h-m      'I 4 2 2'
_symmetry_int_tables_number         97
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 -y,-x,-z
6 y,x,-z
7 y,-x,z
8 -y,x,z
9 1/2+x,1/2+y,1/2+z
10 1/2-x,1/2-y,1/2+z
11 1/2+x,1/2-y,1/2-z
12 1/2-x,1/2+y,1/2-z
13 1/2-y,1/2-x,1/2-z
14 1/2+y,1/2+x,1/2-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
C1 C 8 0.20761 0.20761 0.00000 1.0000
N1 N 4 0.00000 0.50000 0.25000 1.0000
O1 O 2 0.50000 0.50000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 N1 N # N1
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 N1
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.0090 1 0 0 0 5 1 0 0 v 16 0.00 # C1 N1
1 3 0.9820 1 0 0 0 1 0 0 0 v 8 0.00 # C1 O1
#End of data_34-TOPOS_icn34

data_35-TOPOS_icn35
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn35
_chemical_formula_sum               'C4 N2 O'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      2.37513
_cell_length_b                      2.37513
_cell_length_c                      2.16441
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        12.20996
_cell_formula_units_z               2
_symmetry_space_group_name_h-m      'P 4/n n c'
_symmetry_int_tables_number         126
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2-x,1/2-y,z
3 x,1/2-y,1/2-z
4 1/2-x,y,1/2-z
5 1/2-y,1/2-x,1/2-z
6 y,x,1/2-z
7 y,1/2-x,z
8 1/2-y,x,z
9 -x,-y,-z
10 1/2+x,1/2+y,-z
11 -x,1/2+y,1/2+z
12 1/2+x,-y,1/2+z
13 1/2+y,1/2+x,1/2+z
14 -y,-x,1/2+z
15 -y,1/2+x,-z
16 1/2+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
C1 C 8 0.04233 0.04233 0.25000 1.0000
N1 N 4 0.25000 0.75000 0.00000 1.0000
O1 O 2 0.25000 0.25000 0.75000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 N1 N # N1
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 N1
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 1.0090 1 0 0 0 5 0 0 0 v 16 0.00 # C1 N1
1 3 0.9819 1 0 0 0 9 0 0 1 v 8 0.00 # C1 O1
#End of data_35-TOPOS_icn35

data_36-TOPOS_icn36
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn36
_chemical_formula_sum               'C12 N4 O3'
_citation_special_details
;
File: 39&6_derived.cif. 
;
_cell_length_a                      4.71504
_cell_length_b                      4.71504
_cell_length_c                      2.98081
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        66.26819
_cell_formula_units_z               2
_symmetry_space_group_name_h-m      'I 4/m m m'
_symmetry_int_tables_number         139
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 -y,-x,-z
6 y,x,-z
7 y,-x,z
8 -y,x,z
9 -x,-y,-z
10 x,y,-z
11 -x,y,z
12 x,-y,z
13 y,x,z
14 -y,-x,z
15 -y,x,-z
16 y,-x,-z
17 1/2+x,1/2+y,1/2+z
18 1/2-x,1/2-y,1/2+z
19 1/2+x,1/2-y,1/2-z
20 1/2-x,1/2+y,1/2-z
21 1/2-y,1/2-x,1/2-z
22 1/2+y,1/2+x,1/2-z
23 1/2+y,1/2-x,1/2+z
24 1/2-y,1/2+x,1/2+z
25 1/2-x,1/2-y,1/2-z
26 1/2+x,1/2+y,1/2-z
27 1/2-x,1/2+y,1/2+z
28 1/2+x,1/2-y,1/2+z
29 1/2+y,1/2+x,1/2+z
30 1/2-y,1/2-x,1/2+z
31 1/2-y,1/2+x,1/2-z
32 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
C1 C 16 0.14999 0.34983 0.00000 1.0000
C2 C 8 0.34993 0.34993 0.00000 1.0000
N1 N 8 0.25000 0.25000 0.25000 1.0000
O1 O 2 0.50000 0.50000 0.00000 1.0000
O2 O 4 0.50000 0.00000 0.50000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 C2 C # C2
3 3 N1 N # N1
4 4 O1 O # O1
5 5 O2 O # O2
loop_
_topol_node.id
_topol_node.label
1 C1
2 C2
3 N1
4 O1
5 O2
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 3 0.9996 1 0 0 0 6 0 0 0 v 32 0.00 # C1 N1
1 5 1.0007 1 0 0 0 17 -1 0 -1 v 16 0.00 # C1 O2
2 3 0.9997 1 0 0 0 6 0 0 0 v 16 0.00 # C2 N1
2 4 1.0007 1 0 0 0 1 0 0 0 v 8 0.00 # C2 O1
#End of data_36-TOPOS_icn36

data_37-TOPOS_icn37
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn37
_chemical_formula_sum               'C12 N4 O3'
_citation_special_details
;
Citation details: . File: 39&6_derived.cif. 
;
_cell_length_a                      2.3094
_cell_length_b                      2.3094
_cell_length_c                      2.3094
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        12.31679
_cell_formula_units_z               2
_symmetry_space_group_name_h-m      'P n -3 n'
_symmetry_int_tables_number         222
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 z,x,y
6 y,z,x
7 -z,-x,y
8 -y,z,-x
9 z,-x,-y
10 -y,-z,x
11 -z,x,-y
12 y,-z,-x
13 -y,-x,-z
14 y,x,-z
15 y,-x,z
16 -y,x,z
17 -x,-z,-y
18 -z,-y,-x
19 x,z,-y
20 -z,y,x
21 x,-z,y
22 z,y,-x
23 -x,z,y
24 z,-y,x
25 1/2-x,1/2-y,1/2-z
26 1/2+x,1/2+y,1/2-z
27 1/2-x,1/2+y,1/2+z
28 1/2+x,1/2-y,1/2+z
29 1/2-z,1/2-x,1/2-y
30 1/2-y,1/2-z,1/2-x
31 1/2+z,1/2+x,1/2-y
32 1/2+y,1/2-z,1/2+x
33 1/2-z,1/2+x,1/2+y
34 1/2+y,1/2+z,1/2-x
35 1/2+z,1/2-x,1/2+y
36 1/2-y,1/2+z,1/2+x
37 1/2+y,1/2+x,1/2+z
38 1/2-y,1/2-x,1/2+z
39 1/2-y,1/2+x,1/2-z
40 1/2+y,1/2-x,1/2-z
41 1/2+x,1/2+z,1/2+y
42 1/2+z,1/2+y,1/2+x
43 1/2-x,1/2-z,1/2+y
44 1/2+z,1/2-y,1/2-x
45 1/2-x,1/2+z,1/2-y
46 1/2-z,1/2-y,1/2+x
47 1/2+x,1/2-z,1/2-y
48 1/2-z,1/2+y,1/2-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
C1 C 24 0.00000 0.83333 0.50000 1.0000
N1 N 8 0.25000 0.25000 0.25000 1.0000
O1 O 6 0.50000 0.00000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 N1 N # N1
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 N1
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 0.8389 1 0 0 0 13 0 1 1 v 48 0.00 # C1 N1
1 3 0.3849 1 0 0 0 6 0 1 0 v 24 0.00 # C1 O1
#End of data_37-TOPOS_icn37

data_38-TOPOS_icn38
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn38
_chemical_formula_sum               'C12 N4 O3'
_citation_special_details
;
Citation details: . File: 39&6_derived.cif. 
;
_cell_length_a                      2.3094
_cell_length_b                      2.3094
_cell_length_c                      2.3094
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        12.31679
_cell_formula_units_z               2
_symmetry_space_group_name_h-m      'I 4 3 2'
_symmetry_int_tables_number         211
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 z,x,y
6 y,z,x
7 -z,-x,y
8 -y,z,-x
9 z,-x,-y
10 -y,-z,x
11 -z,x,-y
12 y,-z,-x
13 -y,-x,-z
14 y,x,-z
15 y,-x,z
16 -y,x,z
17 -x,-z,-y
18 -z,-y,-x
19 x,z,-y
20 -z,y,x
21 x,-z,y
22 z,y,-x
23 -x,z,y
24 z,-y,x
25 1/2+x,1/2+y,1/2+z
26 1/2-x,1/2-y,1/2+z
27 1/2+x,1/2-y,1/2-z
28 1/2-x,1/2+y,1/2-z
29 1/2+z,1/2+x,1/2+y
30 1/2+y,1/2+z,1/2+x
31 1/2-z,1/2-x,1/2+y
32 1/2-y,1/2+z,1/2-x
33 1/2+z,1/2-x,1/2-y
34 1/2-y,1/2-z,1/2+x
35 1/2-z,1/2+x,1/2-y
36 1/2+y,1/2-z,1/2-x
37 1/2-y,1/2-x,1/2-z
38 1/2+y,1/2+x,1/2-z
39 1/2+y,1/2-x,1/2+z
40 1/2-y,1/2+x,1/2+z
41 1/2-x,1/2-z,1/2-y
42 1/2-z,1/2-y,1/2-x
43 1/2+x,1/2+z,1/2-y
44 1/2-z,1/2+y,1/2+x
45 1/2+x,1/2-z,1/2+y
46 1/2+z,1/2+y,1/2-x
47 1/2-x,1/2+z,1/2+y
48 1/2+z,1/2-y,1/2+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
C1 C 24 0.00000 0.66667 0.50000 1.0000
N1 N 8 0.25000 0.25000 0.25000 1.0000
O1 O 6 0.50000 0.00000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 N1 N # N1
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 N1
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 2 0.8389 1 0 0 0 13 0 1 1 v 48 0.00 # C1 N1
1 3 0.3849 1 0 0 0 25 -1 0 0 v 24 0.00 # C1 O1
#End of data_38-TOPOS_icn38

data_39-TOPOS_icn39
_audit_creation_date                2023-08-20
_audit_creation_method              ToposPro
_chemical_formula_structural        icn39
_chemical_formula_sum               'C4 N O'
_citation_special_details
;
Citation details: . File: 39&6_derived.cif. 
;
_cell_length_a                      1.1547
_cell_length_b                      1.1547
_cell_length_c                      1.1547
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        1.539599
_cell_formula_units_z               1
_symmetry_space_group_name_h-m      'P 4 2 2'
_symmetry_int_tables_number         89
_refine_ls_r_factor_all             0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,-z
4 -x,y,-z
5 -y,-x,-z
6 y,x,-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
C1 C 4 0.50000 0.83333 0.50000 1.0000
N1 N 1 0.50000 0.50000 0.50000 1.0000
O1 O 1 0.00000 0.00000 0.00000 1.0000
loop_
_topol_atom.id
_topol_atom.node_id
_topol_atom.atom_label
_topol_atom.element_symbol
1 1 C1 C # C1
2 2 N1 N # N1
3 3 O1 O # O1
loop_
_topol_node.id
_topol_node.label
1 C1
2 N1
3 O1
loop_
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.distance
_topol_link.symop_id_1
_topol_link.translation_1_x
_topol_link.translation_1_y
_topol_link.translation_1_z
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
_topol_link.type
_topol_link.multiplicity
_topol_link.voronoi_solid_angle
1 3 0.8389 1 0 0 0 1 1 1 0 v 8 0.00 # C1 O1
1 2 0.3849 1 0 0 0 1 0 0 0 v 4 0.00 # C1 N1
#End of data_39-TOPOS_icn39

