# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_123
_database_code_depnum_ccdc_archive 'CCDC 1820052'
_audit_update_record             
;
2018-01-29 deposited with the CCDC.
2018-04-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ga2 Na6 S9 Zn3'
_chemical_formula_weight         762.03

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/c  '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   16.029(6)
_cell_length_b                   16.026(6)
_cell_length_c                   13.205(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.295(5)
_cell_angle_gamma                90.00
_cell_volume                     3326(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1250
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      25.69

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.119
_exptl_crystal_size_min          0.093
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.043
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             2896
_exptl_absorpt_coefficient_mu    8.722
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6235
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8394
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0456
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.23
_diffrn_reflns_theta_max         25.00
_reflns_number_total             2929
_reflns_number_gt                1961
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0468P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00019(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         2929
_refine_ls_number_parameters     186
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0409
_refine_ls_wR_factor_ref         0.1124
_refine_ls_wR_factor_gt          0.1021
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.37100(5) 0.12840(5) 0.45574(6) 0.0163(2) Uani 0.40 1 d P . .
Zn1 Zn 0.37100(5) 0.12840(5) 0.45574(6) 0.0163(2) Uani 0.60 1 d P . .
Ga2 Ga 0.53315(5) 0.29048(5) 0.46055(7) 0.0183(2) Uani 0.40 1 d P . .
Zn2 Zn 0.53315(5) 0.29048(5) 0.46055(7) 0.0183(2) Uani 0.60 1 d P . .
Ga3 Ga 0.33628(5) 0.29141(5) 0.25179(6) 0.0140(2) Uani 0.40 1 d P . .
Zn3 Zn 0.33628(5) 0.29141(5) 0.25179(6) 0.0140(2) Uani 0.60 1 d P . .
Ga4 Ga 0.5000 0.12703(7) 0.2500 0.0130(3) Uani 0.40 2 d SP . .
Zn4 Zn 0.5000 0.12703(7) 0.2500 0.0130(3) Uani 0.60 2 d SP . .
Ga5 Ga 0.30223(5) 0.45631(5) 0.05441(6) 0.0143(2) Uani 0.40 1 d P . .
Zn5 Zn 0.30223(5) 0.45631(5) 0.05441(6) 0.0143(2) Uani 0.60 1 d P . .
Ga6 Ga 0.5000 0.45542(7) 0.2500 0.0153(3) Uani 0.40 2 d SP . .
Zn6 Zn 0.5000 0.45542(7) 0.2500 0.0153(3) Uani 0.60 2 d SP . .
S1 S 0.23317(11) 0.37350(11) 0.15389(15) 0.0175(4) Uani 1 1 d . . .
S2 S 0.43718(11) 0.04344(12) 0.35222(14) 0.0181(4) Uani 1 1 d . . .
S3 S 0.43242(10) 0.37564(11) 0.35734(13) 0.0142(4) Uani 1 1 d . . .
S4 S 0.39999(11) 0.54172(12) 0.15265(14) 0.0174(4) Uani 1 1 d . . .
S5 S 0.26918(11) 0.20990(11) 0.35266(15) 0.0181(4) Uani 1 1 d . . .
S6 S 0.29857(11) 0.03821(11) 0.54899(14) 0.0167(4) Uani 1 1 d . . .
S7 S 0.60190(11) 0.20582(11) 0.35583(14) 0.0150(4) Uani 1 1 d . . .
S8 S 0.46952(11) 0.20740(11) 0.57524(15) 0.0193(4) Uani 1 1 d . . .
S9 S 0.63779(11) 0.37684(11) 0.55598(14) 0.0170(4) Uani 1 1 d . . .
Na1 Na 0.7500 0.2500 0.5000 0.0254(10) Uani 1 2 d S . .
Na2 Na 0.58349(17) 0.08247(17) 0.5066(2) 0.0223(7) Uani 1 1 d . . .
Na3 Na 0.33139(17) 0.33392(17) 0.5036(2) 0.0237(7) Uani 1 1 d . . .
Na4 Na 0.5000 0.5000 0.5000 0.0256(10) Uani 1 2 d S . .
Na5 Na 0.2513(3) 0.0446(3) 0.2282(3) 0.0626(12) Uani 1 1 d . . .
Na6 Na 0.6032(3) 0.3021(4) 0.7313(4) 0.105(2) Uani 1 1 d . . .
Na7 Na 0.4030(6) 0.0996(4) 0.7223(5) 0.177(4) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 S5 2.313(2) . ?
Ga1 S2 2.327(2) . ?
Ga1 S6 2.348(2) . ?
Ga1 S8 2.369(2) . ?
Ga1 Na3 3.444(3) 7_556 ?
Ga1 Na2 3.472(3) 5_656 ?
Ga1 Na7 3.487(6) . ?
Ga2 S3 2.338(2) . ?
Ga2 S9 2.343(2) . ?
Ga2 S7 2.359(2) . ?
Ga2 S8 2.390(2) . ?
Ga3 S5 2.280(2) . ?
Ga3 S1 2.301(2) . ?
Ga3 S3 2.302(2) . ?
Ga3 S7 2.3311(19) 2_655 ?
Ga3 Na1 3.4067(14) 2_655 ?
Ga4 S2 2.272(2) 2_655 ?
Ga4 S2 2.272(2) . ?
Ga4 S7 2.3068(19) . ?
Ga4 S7 2.3068(19) 2_655 ?
Ga4 Na2 3.465(3) 2_655 ?
Ga5 S4 2.284(2) . ?
Ga5 S9 2.285(2) 2_655 ?
Ga5 S1 2.298(2) . ?
Ga5 S6 2.309(2) 4 ?
Ga5 Na1 3.4515(14) 2_655 ?
Ga5 Na5 3.456(4) 4 ?
Ga5 Na4 3.4566(14) 2_655 ?
Ga5 Na3 3.478(3) 6_565 ?
Ga5 Na2 3.494(3) 8_455 ?
Ga6 S4 2.308(2) 2_655 ?
Ga6 S4 2.308(2) . ?
Ga6 S3 2.3277(19) 2_655 ?
Ga6 S3 2.3277(19) . ?
Ga6 Na4 3.3775(12) 2_655 ?
S1 Na2 2.865(3) 8_455 ?
S1 Na1 2.887(2) 2_655 ?
S1 Na7 3.003(9) 7_556 ?
S1 Na5 3.139(5) 4 ?
S2 Na2 2.810(3) 5_656 ?
S2 Na7 2.851(7) 6 ?
S2 Na2 2.859(3) . ?
S2 Na5 3.106(5) . ?
S3 Na4 2.8097(19) . ?
S3 Na3 2.833(3) . ?
S4 Na3 2.865(3) 6_565 ?
S4 Na4 2.8889(19) 2_655 ?
S4 Na6 2.940(6) 5_666 ?
S4 Na5 3.139(4) 4 ?
S5 Na3 2.809(3) 7_556 ?
S5 Na6 2.831(6) 8_455 ?
S5 Na3 2.853(3) . ?
S5 Na5 3.102(5) . ?
S6 Zn5 2.309(2) 4_545 ?
S6 Ga5 2.309(2) 4_545 ?
S6 Na7 2.740(7) . ?
S6 Na2 2.898(3) 5_656 ?
S6 Na3 2.908(3) 7_556 ?
S6 Na5 2.938(4) 6_556 ?
S7 Zn3 2.3311(19) 2_655 ?
S7 Ga3 2.3311(19) 2_655 ?
S7 Na1 2.8267(19) . ?
S7 Na2 2.862(3) . ?
S8 Na7 2.950(6) . ?
S8 Na2 2.969(3) . ?
S8 Na3 3.015(3) . ?
S8 Na6 3.068(5) . ?
S8 Na6 3.370(5) 2_656 ?
S9 Zn5 2.285(2) 2_655 ?
S9 Ga5 2.285(2) 2_655 ?
S9 Na6 2.757(5) . ?
S9 Na1 2.9041(19) . ?
S9 Na5 2.906(4) 8_556 ?
S9 Na4 2.946(2) . ?
Na1 S7 2.8267(19) 7_656 ?
Na1 S1 2.887(2) 2_655 ?
Na1 S1 2.887(2) 8_556 ?
Na1 S9 2.9041(19) 7_656 ?
Na1 Zn3 3.4067(14) 2_655 ?
Na1 Ga3 3.4067(14) 2_655 ?
Na1 Zn3 3.4067(14) 8_556 ?
Na1 Ga3 3.4067(14) 8_556 ?
Na1 Zn5 3.4514(14) 2_655 ?
Na1 Ga5 3.4514(14) 2_655 ?
Na2 S2 2.810(3) 5_656 ?
Na2 S1 2.865(3) 8_556 ?
Na2 S6 2.898(3) 5_656 ?
Na2 Zn1 3.472(3) 5_656 ?
Na2 Ga1 3.472(3) 5_656 ?
Na2 Zn5 3.494(3) 8_556 ?
Na2 Ga5 3.494(3) 8_556 ?
Na2 Na7 3.554(7) 2_656 ?
Na2 Na2 3.741(5) 5_656 ?
Na3 S5 2.809(3) 7_556 ?
Na3 S4 2.865(3) 6_566 ?
Na3 S6 2.908(3) 7_556 ?
Na3 Zn1 3.444(3) 7_556 ?
Na3 Ga1 3.444(3) 7_556 ?
Na3 Ga5 3.478(3) 6_566 ?
Na3 Zn5 3.478(3) 6_566 ?
Na3 Na6 3.489(6) 2_656 ?
Na3 Na3 3.736(5) 7_556 ?
Na4 S3 2.8097(19) 5_666 ?
Na4 S4 2.8889(19) 2_655 ?
Na4 S4 2.8889(19) 6_566 ?
Na4 S9 2.946(2) 5_666 ?
Na4 Zn6 3.3775(12) 5_666 ?
Na4 Ga6 3.3775(12) 5_666 ?
Na4 Ga2 3.4549(15) 5_666 ?
Na4 Zn2 3.4549(15) 5_666 ?
Na4 Ga5 3.4566(14) 2_655 ?
Na4 Zn5 3.4566(14) 2_655 ?
Na5 S9 2.906(4) 8_455 ?
Na5 S6 2.938(4) 6 ?
Na5 S1 3.139(5) 4_545 ?
Na5 S4 3.139(4) 4_545 ?
Na5 Na7 3.366(8) 6 ?
Na5 Na6 3.422(6) 8_455 ?
Na5 Ga5 3.456(4) 4_545 ?
Na5 Zn5 3.456(4) 4_545 ?
Na5 Zn5 3.661(4) 7 ?
Na6 S5 2.831(6) 8_556 ?
Na6 S4 2.940(6) 5_666 ?
Na6 Na7 3.308(9) 2_656 ?
Na6 S8 3.370(5) 2_656 ?
Na6 Na5 3.422(6) 8_556 ?
Na6 Na6 3.439(10) 2_656 ?
Na6 Na3 3.489(6) 2_656 ?
Na7 S2 2.851(7) 6_556 ?
Na7 S1 3.003(9) 7_556 ?
Na7 Na7 3.052(18) 2_656 ?
Na7 Na6 3.308(9) 2_656 ?
Na7 Na5 3.366(8) 6_556 ?
Na7 Na2 3.554(7) 2_656 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S5 Ga1 S2 109.57(7) . . ?
S5 Ga1 S6 106.96(7) . . ?
S2 Ga1 S6 106.08(8) . . ?
S5 Ga1 S8 113.06(8) . . ?
S2 Ga1 S8 112.52(7) . . ?
S6 Ga1 S8 108.25(8) . . ?
S5 Ga1 Na3 54.21(7) . 7_556 ?
S2 Ga1 Na3 138.24(7) . 7_556 ?
S6 Ga1 Na3 56.53(7) . 7_556 ?
S8 Ga1 Na3 109.14(7) . 7_556 ?
S5 Ga1 Na2 137.55(7) . 5_656 ?
S2 Ga1 Na2 53.66(7) . 5_656 ?
S6 Ga1 Na2 55.77(7) . 5_656 ?
S8 Ga1 Na2 109.32(7) . 5_656 ?
Na3 Ga1 Na2 109.04(7) 7_556 5_656 ?
S5 Ga1 Na7 128.02(17) . . ?
S2 Ga1 Na7 121.44(16) . . ?
S6 Ga1 Na7 51.63(12) . . ?
S8 Ga1 Na7 56.71(12) . . ?
Na3 Ga1 Na7 79.78(17) 7_556 . ?
Na2 Ga1 Na7 75.02(14) 5_656 . ?
S3 Ga2 S9 107.98(8) . . ?
S3 Ga2 S7 110.04(7) . . ?
S9 Ga2 S7 106.72(7) . . ?
S3 Ga2 S8 111.28(7) . . ?
S9 Ga2 S8 109.74(8) . . ?
S7 Ga2 S8 110.94(8) . . ?
S5 Ga3 S1 106.65(7) . . ?
S5 Ga3 S3 108.59(8) . . ?
S1 Ga3 S3 109.07(8) . . ?
S5 Ga3 S7 108.94(8) . 2_655 ?
S1 Ga3 S7 109.77(7) . 2_655 ?
S3 Ga3 S7 113.59(7) . 2_655 ?
S5 Ga3 Na1 108.10(6) . 2_655 ?
S1 Ga3 Na1 56.88(5) . 2_655 ?
S3 Ga3 Na1 143.21(5) . 2_655 ?
S7 Ga3 Na1 55.27(5) 2_655 2_655 ?
S2 Ga4 S2 107.74(11) 2_655 . ?
S2 Ga4 S7 109.82(7) 2_655 . ?
S2 Ga4 S7 107.85(7) . . ?
S2 Ga4 S7 107.85(7) 2_655 2_655 ?
S2 Ga4 S7 109.82(7) . 2_655 ?
S7 Ga4 S7 113.62(11) . 2_655 ?
S2 Ga4 Na2 55.16(7) 2_655 2_655 ?
S2 Ga4 Na2 109.16(7) . 2_655 ?
S7 Ga4 Na2 142.87(6) . 2_655 ?
S7 Ga4 Na2 55.13(6) 2_655 2_655 ?
S4 Ga5 S9 111.65(7) . 2_655 ?
S4 Ga5 S1 112.03(8) . . ?
S9 Ga5 S1 110.66(8) 2_655 . ?
S4 Ga5 S6 108.53(8) . 4 ?
S9 Ga5 S6 105.83(7) 2_655 4 ?
S1 Ga5 S6 107.86(7) . 4 ?
S4 Ga5 Na1 143.50(6) . 2_655 ?
S9 Ga5 Na1 56.53(5) 2_655 2_655 ?
S1 Ga5 Na1 56.05(5) . 2_655 ?
S6 Ga5 Na1 107.96(6) 4 2_655 ?
S4 Ga5 Na5 62.43(8) . 4 ?
S9 Ga5 Na5 164.17(9) 2_655 4 ?
S1 Ga5 Na5 62.34(9) . 4 ?
S6 Ga5 Na5 89.98(9) 4 4 ?
Na1 Ga5 Na5 118.39(7) 2_655 4 ?
S4 Ga5 Na4 56.05(5) . 2_655 ?
S9 Ga5 Na4 57.50(5) 2_655 2_655 ?
S1 Ga5 Na4 143.11(5) . 2_655 ?
S6 Ga5 Na4 109.02(6) 4 2_655 ?
Na1 Ga5 Na4 110.23(2) 2_655 2_655 ?
Na5 Ga5 Na4 118.47(7) 4 2_655 ?
S4 Ga5 Na3 55.04(7) . 6_565 ?
S9 Ga5 Na3 109.05(7) 2_655 6_565 ?
S1 Ga5 Na3 140.04(7) . 6_565 ?
S6 Ga5 Na3 56.04(7) 4 6_565 ?
Na1 Ga5 Na3 157.24(6) 2_655 6_565 ?
Na5 Ga5 Na3 80.17(9) 4 6_565 ?
Na4 Ga5 Na3 66.46(5) 2_655 6_565 ?
S4 Ga5 Na2 139.61(7) . 8_455 ?
S9 Ga5 Na2 108.57(7) 2_655 8_455 ?
S1 Ga5 Na2 54.68(7) . 8_455 ?
S6 Ga5 Na2 55.48(7) 4 8_455 ?
Na1 Ga5 Na2 66.31(5) 2_655 8_455 ?
Na5 Ga5 Na2 79.58(8) 4 8_455 ?
Na4 Ga5 Na2 157.99(6) 2_655 8_455 ?
Na3 Ga5 Na2 107.77(7) 6_565 8_455 ?
S4 Ga6 S4 106.38(10) 2_655 . ?
S4 Ga6 S3 108.24(7) 2_655 2_655 ?
S4 Ga6 S3 110.20(7) . 2_655 ?
S4 Ga6 S3 110.20(7) 2_655 . ?
S4 Ga6 S3 108.23(7) . . ?
S3 Ga6 S3 113.37(10) 2_655 . ?
S4 Ga6 Na4 106.54(5) 2_655 2_655 ?
S4 Ga6 Na4 57.45(5) . 2_655 ?
S3 Ga6 Na4 55.39(5) 2_655 2_655 ?
S3 Ga6 Na4 143.17(5) . 2_655 ?
Ga5 S1 Ga3 106.13(8) . . ?
Ga5 S1 Na2 84.43(8) . 8_455 ?
Ga3 S1 Na2 159.36(10) . 8_455 ?
Ga5 S1 Na1 82.63(6) . 2_655 ?
Ga3 S1 Na1 81.23(6) . 2_655 ?
Na2 S1 Na1 82.67(8) 8_455 2_655 ?
Ga5 S1 Na7 135.32(16) . 7_556 ?
Ga3 S1 Na7 107.15(17) . 7_556 ?
Na2 S1 Na7 74.51(16) 8_455 7_556 ?
Na1 S1 Na7 131.27(14) 2_655 7_556 ?
Ga5 S1 Na5 77.23(9) . 4 ?
Ga3 S1 Na5 104.02(11) . 4 ?
Na2 S1 Na5 95.52(11) 8_455 4 ?
Na1 S1 Na5 159.86(10) 2_655 4 ?
Na7 S1 Na5 66.42(15) 7_556 4 ?
Ga4 S2 Ga1 108.06(9) . . ?
Ga4 S2 Na2 160.20(10) . 5_656 ?
Ga1 S2 Na2 84.49(8) . 5_656 ?
Ga4 S2 Na7 99.90(18) . 6 ?
Ga1 S2 Na7 140.2(2) . 6 ?
Na2 S2 Na7 77.77(17) 5_656 6 ?
Ga4 S2 Na2 84.12(8) . . ?
Ga1 S2 Na2 81.82(8) . . ?
Na2 S2 Na2 82.58(10) 5_656 . ?
Na7 S2 Na2 129.72(17) 6 . ?
Ga4 S2 Na5 100.03(10) . . ?
Ga1 S2 Na5 78.80(9) . . ?
Na2 S2 Na5 97.38(11) 5_656 . ?
Na7 S2 Na5 68.66(18) 6 . ?
Na2 S2 Na5 160.52(12) . . ?
Ga3 S3 Ga6 106.84(8) . . ?
Ga3 S3 Ga2 108.34(8) . . ?
Ga6 S3 Ga2 108.97(7) . . ?
Ga3 S3 Na4 161.16(8) . . ?
Ga6 S3 Na4 81.63(6) . . ?
Ga2 S3 Na4 83.78(6) . . ?
Ga3 S3 Na3 82.53(8) . . ?
Ga6 S3 Na3 160.24(10) . . ?
Ga2 S3 Na3 83.49(8) . . ?
Na4 S3 Na3 84.67(8) . . ?
Ga5 S4 Ga6 106.36(8) . . ?
Ga5 S4 Na3 84.17(9) . 6_565 ?
Ga6 S4 Na3 158.54(9) . 6_565 ?
Ga5 S4 Na4 82.98(6) . 2_655 ?
Ga6 S4 Na4 80.22(6) . 2_655 ?
Na3 S4 Na4 82.67(8) 6_565 2_655 ?
Ga5 S4 Na6 136.57(13) . 5_666 ?
Ga6 S4 Na6 107.51(13) . 5_666 ?
Na3 S4 Na6 73.89(13) 6_565 5_666 ?
Na4 S4 Na6 129.00(11) 2_655 5_666 ?
Ga5 S4 Na5 77.41(9) . 4 ?
Ga6 S4 Na5 104.48(11) . 4 ?
Na3 S4 Na5 95.97(11) 6_565 4 ?
Na4 S4 Na5 160.37(10) 2_655 4 ?
Na6 S4 Na5 68.43(13) 5_666 4 ?
Ga3 S5 Ga1 107.94(8) . . ?
Ga3 S5 Na3 159.50(10) . 7_556 ?
Ga1 S5 Na3 83.88(9) . 7_556 ?
Ga3 S5 Na6 101.94(14) . 8_455 ?
Ga1 S5 Na6 140.46(14) . 8_455 ?
Na3 S5 Na6 76.44(13) 7_556 8_455 ?
Ga3 S5 Na3 82.45(8) . . ?
Ga1 S5 Na3 82.68(9) . . ?
Na3 S5 Na3 82.56(10) 7_556 . ?
Na6 S5 Na3 127.16(13) 8_455 . ?
Ga3 S5 Na5 100.65(10) . . ?
Ga1 S5 Na5 79.10(9) . . ?
Na3 S5 Na5 97.99(11) 7_556 . ?
Na6 S5 Na5 70.29(14) 8_455 . ?
Na3 S5 Na5 161.59(12) . . ?
Zn5 S6 Ga5 0.00(4) 4_545 4_545 ?
Zn5 S6 Ga1 113.60(8) 4_545 . ?
Ga5 S6 Ga1 113.60(8) 4_545 . ?
Zn5 S6 Na7 160.08(15) 4_545 . ?
Ga5 S6 Na7 160.08(15) 4_545 . ?
Ga1 S6 Na7 86.16(14) . . ?
Zn5 S6 Na2 83.48(8) 4_545 5_656 ?
Ga5 S6 Na2 83.48(8) 4_545 5_656 ?
Ga1 S6 Na2 82.17(8) . 5_656 ?
Na7 S6 Na2 97.4(2) . 5_656 ?
Zn5 S6 Na3 82.76(8) 4_545 7_556 ?
Ga5 S6 Na3 82.76(8) 4_545 7_556 ?
Ga1 S6 Na3 81.12(8) . 7_556 ?
Na7 S6 Na3 103.8(2) . 7_556 ?
Na2 S6 Na3 151.92(11) 5_656 7_556 ?
Zn5 S6 Na5 87.62(10) 4_545 6_556 ?
Ga5 S6 Na5 87.62(10) 4_545 6_556 ?
Ga1 S6 Na5 158.77(11) . 6_556 ?
Na7 S6 Na5 72.62(16) . 6_556 ?
Na2 S6 Na5 100.75(12) 5_656 6_556 ?
Na3 S6 Na5 102.99(12) 7_556 6_556 ?
Ga4 S7 Zn3 106.73(8) . 2_655 ?
Ga4 S7 Ga3 106.73(8) . 2_655 ?
Zn3 S7 Ga3 0.00(4) 2_655 2_655 ?
Ga4 S7 Ga2 108.26(7) . . ?
Zn3 S7 Ga2 108.79(8) 2_655 . ?
Ga3 S7 Ga2 108.79(8) 2_655 . ?
Ga4 S7 Na1 161.21(8) . . ?
Zn3 S7 Na1 82.07(6) 2_655 . ?
Ga3 S7 Na1 82.07(6) 2_655 . ?
Ga2 S7 Na1 83.58(6) . . ?
Ga4 S7 Na2 83.46(8) . . ?
Zn3 S7 Na2 160.85(9) 2_655 . ?
Ga3 S7 Na2 160.85(9) 2_655 . ?
Ga2 S7 Na2 82.28(8) . . ?
Na1 S7 Na2 83.79(8) . . ?
Ga1 S8 Ga2 100.79(8) . . ?
Ga1 S8 Na7 81.13(14) . . ?
Ga2 S8 Na7 175.9(2) . . ?
Ga1 S8 Na2 78.82(8) . . ?
Ga2 S8 Na2 79.50(8) . . ?
Na7 S8 Na2 97.4(2) . . ?
Ga1 S8 Na3 78.32(8) . . ?
Ga2 S8 Na3 78.74(8) . . ?
Na7 S8 Na3 105.2(2) . . ?
Na2 S8 Na3 144.66(11) . . ?
Ga1 S8 Na6 177.11(15) . . ?
Ga2 S8 Na6 79.71(11) . . ?
Na7 S8 Na6 98.20(17) . . ?
Na2 S8 Na6 98.52(14) . . ?
Na3 S8 Na6 104.56(14) . . ?
Ga1 S8 Na6 117.48(12) . 2_656 ?
Ga2 S8 Na6 118.90(13) . 2_656 ?
Na7 S8 Na6 62.72(19) . 2_656 ?
Na2 S8 Na6 149.32(12) . 2_656 ?
Na3 S8 Na6 65.99(11) . 2_656 ?
Na6 S8 Na6 64.38(19) . 2_656 ?
Zn5 S9 Ga5 0.00(4) 2_655 2_655 ?
Zn5 S9 Ga2 109.42(8) 2_655 . ?
Ga5 S9 Ga2 109.42(8) 2_655 . ?
Zn5 S9 Na6 163.07(13) 2_655 . ?
Ga5 S9 Na6 163.07(13) 2_655 . ?
Ga2 S9 Na6 87.39(12) . . ?
Zn5 S9 Na1 82.46(6) 2_655 . ?
Ga5 S9 Na1 82.46(6) 2_655 . ?
Ga2 S9 Na1 82.15(6) . . ?
Na6 S9 Na1 98.41(15) . . ?
Zn5 S9 Na5 88.88(10) 2_655 8_556 ?
Ga5 S9 Na5 88.88(10) 2_655 8_556 ?
Ga2 S9 Na5 161.69(11) . 8_556 ?
Na6 S9 Na5 74.30(14) . 8_556 ?
Na1 S9 Na5 100.28(11) . 8_556 ?
Zn5 S9 Na4 81.66(6) 2_655 . ?
Ga5 S9 Na4 81.66(6) 2_655 . ?
Ga2 S9 Na4 80.69(6) . . ?
Na6 S9 Na4 103.73(14) . . ?
Na1 S9 Na4 151.19(7) . . ?
Na5 S9 Na4 103.28(11) 8_556 . ?
S7 Na1 S7 180.00(5) 7_656 . ?
S7 Na1 S1 96.92(5) 7_656 2_655 ?
S7 Na1 S1 83.08(5) . 2_655 ?
S7 Na1 S1 83.08(5) 7_656 8_556 ?
S7 Na1 S1 96.91(5) . 8_556 ?
S1 Na1 S1 180.0 2_655 8_556 ?
S7 Na1 S9 97.67(6) 7_656 . ?
S7 Na1 S9 82.33(6) . . ?
S1 Na1 S9 81.21(5) 2_655 . ?
S1 Na1 S9 98.79(5) 8_556 . ?
S7 Na1 S9 82.33(6) 7_656 7_656 ?
S7 Na1 S9 97.67(6) . 7_656 ?
S1 Na1 S9 98.79(5) 2_655 7_656 ?
S1 Na1 S9 81.21(5) 8_556 7_656 ?
S9 Na1 S9 180.0 . 7_656 ?
S7 Na1 Zn3 137.33(4) 7_656 2_655 ?
S7 Na1 Zn3 42.67(4) . 2_655 ?
S1 Na1 Zn3 41.89(4) 2_655 2_655 ?
S1 Na1 Zn3 138.11(4) 8_556 2_655 ?
S9 Na1 Zn3 87.64(4) . 2_655 ?
S9 Na1 Zn3 92.36(4) 7_656 2_655 ?
S7 Na1 Ga3 137.33(4) 7_656 2_655 ?
S7 Na1 Ga3 42.67(4) . 2_655 ?
S1 Na1 Ga3 41.89(4) 2_655 2_655 ?
S1 Na1 Ga3 138.11(4) 8_556 2_655 ?
S9 Na1 Ga3 87.64(4) . 2_655 ?
S9 Na1 Ga3 92.36(4) 7_656 2_655 ?
Zn3 Na1 Ga3 0.00(3) 2_655 2_655 ?
S7 Na1 Zn3 42.67(4) 7_656 8_556 ?
S7 Na1 Zn3 137.33(4) . 8_556 ?
S1 Na1 Zn3 138.11(4) 2_655 8_556 ?
S1 Na1 Zn3 41.89(4) 8_556 8_556 ?
S9 Na1 Zn3 92.36(4) . 8_556 ?
S9 Na1 Zn3 87.64(4) 7_656 8_556 ?
Zn3 Na1 Zn3 180.000(12) 2_655 8_556 ?
Ga3 Na1 Zn3 180.000(12) 2_655 8_556 ?
S7 Na1 Ga3 42.67(4) 7_656 8_556 ?
S7 Na1 Ga3 137.33(4) . 8_556 ?
S1 Na1 Ga3 138.11(4) 2_655 8_556 ?
S1 Na1 Ga3 41.89(4) 8_556 8_556 ?
S9 Na1 Ga3 92.36(4) . 8_556 ?
S9 Na1 Ga3 87.64(4) 7_656 8_556 ?
Zn3 Na1 Ga3 180.000(12) 2_655 8_556 ?
Ga3 Na1 Ga3 180.000(12) 2_655 8_556 ?
Zn3 Na1 Ga3 0.00(3) 8_556 8_556 ?
S7 Na1 Zn5 92.16(4) 7_656 2_655 ?
S7 Na1 Zn5 87.84(4) . 2_655 ?
S1 Na1 Zn5 41.33(4) 2_655 2_655 ?
S1 Na1 Zn5 138.67(4) 8_556 2_655 ?
S9 Na1 Zn5 41.01(4) . 2_655 ?
S9 Na1 Zn5 138.99(4) 7_656 2_655 ?
Zn3 Na1 Zn5 64.830(19) 2_655 2_655 ?
Ga3 Na1 Zn5 64.830(19) 2_655 2_655 ?
Zn3 Na1 Zn5 115.170(19) 8_556 2_655 ?
Ga3 Na1 Zn5 115.170(19) 8_556 2_655 ?
S7 Na1 Ga5 92.16(4) 7_656 2_655 ?
S7 Na1 Ga5 87.84(4) . 2_655 ?
S1 Na1 Ga5 41.33(4) 2_655 2_655 ?
S1 Na1 Ga5 138.67(4) 8_556 2_655 ?
S9 Na1 Ga5 41.01(4) . 2_655 ?
S9 Na1 Ga5 138.99(4) 7_656 2_655 ?
Zn3 Na1 Ga5 64.830(19) 2_655 2_655 ?
Ga3 Na1 Ga5 64.830(19) 2_655 2_655 ?
Zn3 Na1 Ga5 115.170(19) 8_556 2_655 ?
Ga3 Na1 Ga5 115.170(19) 8_556 2_655 ?
Zn5 Na1 Ga5 0.00(2) 2_655 2_655 ?
S2 Na2 S2 97.42(10) 5_656 . ?
S2 Na2 S7 177.54(13) 5_656 . ?
S2 Na2 S7 80.61(9) . . ?
S2 Na2 S1 85.33(10) 5_656 8_556 ?
S2 Na2 S1 177.15(12) . 8_556 ?
S7 Na2 S1 96.63(10) . 8_556 ?
S2 Na2 S6 81.74(9) 5_656 5_656 ?
S2 Na2 S6 99.08(10) . 5_656 ?
S7 Na2 S6 97.09(10) . 5_656 ?
S1 Na2 S6 80.52(9) 8_556 5_656 ?
S2 Na2 S8 97.02(10) 5_656 . ?
S2 Na2 S8 84.11(9) . . ?
S7 Na2 S8 84.26(9) . . ?
S1 Na2 S8 96.34(10) 8_556 . ?
S6 Na2 S8 176.69(12) 5_656 . ?
S2 Na2 Zn1 41.84(5) 5_656 5_656 ?
S2 Na2 Zn1 90.52(8) . 5_656 ?
S7 Na2 Zn1 136.42(10) . 5_656 ?
S1 Na2 Zn1 91.03(8) 8_556 5_656 ?
S6 Na2 Zn1 42.06(5) 5_656 5_656 ?
S8 Na2 Zn1 137.49(10) . 5_656 ?
S2 Na2 Ga1 41.84(5) 5_656 5_656 ?
S2 Na2 Ga1 90.52(8) . 5_656 ?
S7 Na2 Ga1 136.42(10) . 5_656 ?
S1 Na2 Ga1 91.03(8) 8_556 5_656 ?
S6 Na2 Ga1 42.06(5) 5_656 5_656 ?
S8 Na2 Ga1 137.49(10) . 5_656 ?
Zn1 Na2 Ga1 0.00(3) 5_656 5_656 ?
S2 Na2 Zn5 89.83(8) 5_656 8_556 ?
S2 Na2 Zn5 138.04(10) . 8_556 ?
S7 Na2 Zn5 90.68(8) . 8_556 ?
S1 Na2 Zn5 40.89(5) 8_556 8_556 ?
S6 Na2 Zn5 41.04(5) 5_656 8_556 ?
S8 Na2 Zn5 136.09(10) . 8_556 ?
Zn1 Na2 Zn5 68.03(5) 5_656 8_556 ?
Ga1 Na2 Zn5 68.03(5) 5_656 8_556 ?
S2 Na2 Ga5 89.83(8) 5_656 8_556 ?
S2 Na2 Ga5 138.04(10) . 8_556 ?
S7 Na2 Ga5 90.68(8) . 8_556 ?
S1 Na2 Ga5 40.89(5) 8_556 8_556 ?
S6 Na2 Ga5 41.04(5) 5_656 8_556 ?
S8 Na2 Ga5 136.09(10) . 8_556 ?
Zn1 Na2 Ga5 68.03(5) 5_656 8_556 ?
Ga1 Na2 Ga5 68.03(5) 5_656 8_556 ?
Zn5 Na2 Ga5 0.00(4) 8_556 8_556 ?
S2 Na2 Na7 51.63(14) 5_656 2_656 ?
S2 Na2 Na7 127.94(18) . 2_656 ?
S7 Na2 Na7 130.78(16) . 2_656 ?
S1 Na2 Na7 54.53(17) 8_556 2_656 ?
S6 Na2 Na7 113.12(14) 5_656 2_656 ?
S8 Na2 Na7 63.92(12) . 2_656 ?
Zn1 Na2 Na7 87.79(13) 5_656 2_656 ?
Ga1 Na2 Na7 87.79(13) 5_656 2_656 ?
Zn5 Na2 Na7 88.33(15) 8_556 2_656 ?
Ga5 Na2 Na7 88.33(15) 8_556 2_656 ?
S2 Na2 Na2 49.27(8) 5_656 5_656 ?
S2 Na2 Na2 48.14(7) . 5_656 ?
S7 Na2 Na2 128.74(13) . 5_656 ?
S1 Na2 Na2 134.60(14) 8_556 5_656 ?
S6 Na2 Na2 90.73(11) 5_656 5_656 ?
S8 Na2 Na2 90.77(11) . 5_656 ?
Zn1 Na2 Na2 56.45(7) 5_656 5_656 ?
Ga1 Na2 Na2 56.45(7) 5_656 5_656 ?
Zn5 Na2 Na2 124.48(11) 8_556 5_656 ?
Ga5 Na2 Na2 124.48(11) 8_556 5_656 ?
Na7 Na2 Na2 90.21(18) 2_656 5_656 ?
S5 Na3 S3 179.13(12) 7_556 . ?
S5 Na3 S5 97.44(10) 7_556 . ?
S3 Na3 S5 81.75(9) . . ?
S5 Na3 S4 84.46(10) 7_556 6_566 ?
S3 Na3 S4 96.34(10) . 6_566 ?
S5 Na3 S4 177.81(12) . 6_566 ?
S5 Na3 S6 81.86(9) 7_556 7_556 ?
S3 Na3 S6 98.59(10) . 7_556 ?
S5 Na3 S6 100.85(11) . 7_556 ?
S4 Na3 S6 80.46(9) 6_566 7_556 ?
S5 Na3 S8 95.92(10) 7_556 . ?
S3 Na3 S8 83.68(9) . . ?
S5 Na3 S8 83.42(9) . . ?
S4 Na3 S8 95.32(10) 6_566 . ?
S6 Na3 S8 175.39(13) 7_556 . ?
S5 Na3 Zn1 41.91(5) 7_556 7_556 ?
S3 Na3 Zn1 138.31(11) . 7_556 ?
S5 Na3 Zn1 91.15(8) . 7_556 ?
S4 Na3 Zn1 90.99(8) 6_566 7_556 ?
S6 Na3 Zn1 42.35(5) 7_556 7_556 ?
S8 Na3 Zn1 136.50(10) . 7_556 ?
S5 Na3 Ga1 41.91(5) 7_556 7_556 ?
S3 Na3 Ga1 138.31(11) . 7_556 ?
S5 Na3 Ga1 91.15(8) . 7_556 ?
S4 Na3 Ga1 90.99(8) 6_566 7_556 ?
S6 Na3 Ga1 42.35(5) 7_556 7_556 ?
S8 Na3 Ga1 136.50(10) . 7_556 ?
Zn1 Na3 Ga1 0.000(6) 7_556 7_556 ?
S5 Na3 Ga5 89.69(8) 7_556 6_566 ?
S3 Na3 Ga5 91.13(8) . 6_566 ?
S5 Na3 Ga5 140.05(11) . 6_566 ?
S4 Na3 Ga5 40.79(5) 6_566 6_566 ?
S6 Na3 Ga5 41.21(5) 7_556 6_566 ?
S8 Na3 Ga5 135.06(10) . 6_566 ?
Zn1 Na3 Ga5 68.53(5) 7_556 6_566 ?
Ga1 Na3 Ga5 68.53(5) 7_556 6_566 ?
S5 Na3 Zn5 89.69(8) 7_556 6_566 ?
S3 Na3 Zn5 91.13(8) . 6_566 ?
S5 Na3 Zn5 140.05(11) . 6_566 ?
S4 Na3 Zn5 40.79(5) 6_566 6_566 ?
S6 Na3 Zn5 41.21(5) 7_556 6_566 ?
S8 Na3 Zn5 135.06(10) . 6_566 ?
Zn1 Na3 Zn5 68.53(5) 7_556 6_566 ?
Ga1 Na3 Zn5 68.53(5) 7_556 6_566 ?
Ga5 Na3 Zn5 0.00(3) 6_566 6_566 ?
S5 Na3 Na6 52.06(11) 7_556 2_656 ?
S3 Na3 Na6 128.23(13) . 2_656 ?
S5 Na3 Na6 126.47(14) . 2_656 ?
S4 Na3 Na6 54.04(12) 6_566 2_656 ?
S6 Na3 Na6 113.76(12) 7_556 2_656 ?
S8 Na3 Na6 61.90(10) . 2_656 ?
Zn1 Na3 Na6 88.64(10) 7_556 2_656 ?
Ga1 Na3 Na6 88.64(10) 7_556 2_656 ?
Ga5 Na3 Na6 88.44(11) 6_566 2_656 ?
Zn5 Na3 Na6 88.44(11) 6_566 2_656 ?
S5 Na3 Na3 49.22(8) 7_556 7_556 ?
S3 Na3 Na3 129.98(14) . 7_556 ?
S5 Na3 Na3 48.23(7) . 7_556 ?
S4 Na3 Na3 133.67(14) 6_566 7_556 ?
S6 Na3 Na3 92.14(11) 7_556 7_556 ?
S8 Na3 Na3 89.43(11) . 7_556 ?
Zn1 Na3 Na3 57.02(7) 7_556 7_556 ?
Ga1 Na3 Na3 57.02(7) 7_556 7_556 ?
Ga5 Na3 Na3 125.55(12) 6_566 7_556 ?
Zn5 Na3 Na3 125.55(12) 6_566 7_556 ?
Na6 Na3 Na3 89.51(15) 2_656 7_556 ?
S3 Na4 S3 180.00(5) . 5_666 ?
S3 Na4 S4 83.69(5) . 2_655 ?
S3 Na4 S4 96.31(5) 5_666 2_655 ?
S3 Na4 S4 96.31(5) . 6_566 ?
S3 Na4 S4 83.69(5) 5_666 6_566 ?
S4 Na4 S4 180.0 2_655 6_566 ?
S3 Na4 S9 82.22(6) . . ?
S3 Na4 S9 97.78(6) 5_666 . ?
S4 Na4 S9 80.73(5) 2_655 . ?
S4 Na4 S9 99.27(5) 6_566 . ?
S3 Na4 S9 97.78(6) . 5_666 ?
S3 Na4 S9 82.22(6) 5_666 5_666 ?
S4 Na4 S9 99.27(5) 2_655 5_666 ?
S4 Na4 S9 80.73(5) 6_566 5_666 ?
S9 Na4 S9 180.00(7) . 5_666 ?
S3 Na4 Zn6 137.01(4) . 5_666 ?
S3 Na4 Zn6 42.99(4) 5_666 5_666 ?
S4 Na4 Zn6 137.67(4) 2_655 5_666 ?
S4 Na4 Zn6 42.33(4) 6_566 5_666 ?
S9 Na4 Zn6 92.29(4) . 5_666 ?
S9 Na4 Zn6 87.71(4) 5_666 5_666 ?
S3 Na4 Ga6 137.01(4) . 5_666 ?
S3 Na4 Ga6 42.99(4) 5_666 5_666 ?
S4 Na4 Ga6 137.67(4) 2_655 5_666 ?
S4 Na4 Ga6 42.33(4) 6_566 5_666 ?
S9 Na4 Ga6 92.29(4) . 5_666 ?
S9 Na4 Ga6 87.71(4) 5_666 5_666 ?
Zn6 Na4 Ga6 0.0 5_666 5_666 ?
S3 Na4 Ga2 137.73(4) . 5_666 ?
S3 Na4 Ga2 42.27(4) 5_666 5_666 ?
S4 Na4 Ga2 90.17(4) 2_655 5_666 ?
S4 Na4 Ga2 89.83(4) 6_566 5_666 ?
S9 Na4 Ga2 138.00(4) . 5_666 ?
S9 Na4 Ga2 42.00(4) 5_666 5_666 ?
Zn6 Na4 Ga2 67.52(2) 5_666 5_666 ?
Ga6 Na4 Ga2 67.52(2) 5_666 5_666 ?
S3 Na4 Zn2 137.73(4) . 5_666 ?
S3 Na4 Zn2 42.27(4) 5_666 5_666 ?
S4 Na4 Zn2 90.17(4) 2_655 5_666 ?
S4 Na4 Zn2 89.83(4) 6_566 5_666 ?
S9 Na4 Zn2 138.00(4) . 5_666 ?
S9 Na4 Zn2 42.00(4) 5_666 5_666 ?
Zn6 Na4 Zn2 67.52(2) 5_666 5_666 ?
Ga6 Na4 Zn2 67.52(2) 5_666 5_666 ?
Ga2 Na4 Zn2 0.00(3) 5_666 5_666 ?
S3 Na4 Ga5 88.04(4) . 2_655 ?
S3 Na4 Ga5 91.96(4) 5_666 2_655 ?
S4 Na4 Ga5 40.98(4) 2_655 2_655 ?
S4 Na4 Ga5 139.02(4) 6_566 2_655 ?
S9 Na4 Ga5 40.84(4) . 2_655 ?
S9 Na4 Ga5 139.16(4) 5_666 2_655 ?
Zn6 Na4 Ga5 114.933(16) 5_666 2_655 ?
Ga6 Na4 Ga5 114.933(16) 5_666 2_655 ?
Ga2 Na4 Ga5 113.742(19) 5_666 2_655 ?
Zn2 Na4 Ga5 113.742(19) 5_666 2_655 ?
S3 Na4 Zn5 88.04(4) . 2_655 ?
S3 Na4 Zn5 91.96(4) 5_666 2_655 ?
S4 Na4 Zn5 40.98(4) 2_655 2_655 ?
S4 Na4 Zn5 139.02(4) 6_566 2_655 ?
S9 Na4 Zn5 40.84(4) . 2_655 ?
S9 Na4 Zn5 139.16(4) 5_666 2_655 ?
Zn6 Na4 Zn5 114.933(16) 5_666 2_655 ?
Ga6 Na4 Zn5 114.933(16) 5_666 2_655 ?
Ga2 Na4 Zn5 113.742(19) 5_666 2_655 ?
Zn2 Na4 Zn5 113.742(19) 5_666 2_655 ?
Ga5 Na4 Zn5 0.00(4) 2_655 2_655 ?
S9 Na5 S6 77.66(11) 8_455 6 ?
S9 Na5 S5 91.33(13) 8_455 . ?
S6 Na5 S5 143.22(17) 6 . ?
S9 Na5 S2 143.52(17) 8_455 . ?
S6 Na5 S2 92.87(12) 6 . ?
S5 Na5 S2 75.29(11) . . ?
S9 Na5 S1 138.02(17) 8_455 4_545 ?
S6 Na5 S1 89.84(13) 6 4_545 ?
S5 Na5 S1 119.54(13) . 4_545 ?
S2 Na5 S1 76.03(10) . 4_545 ?
S9 Na5 S4 88.38(12) 8_455 4_545 ?
S6 Na5 S4 138.02(17) 6 4_545 ?
S5 Na5 S4 75.34(10) . 4_545 ?
S2 Na5 S4 119.40(13) . 4_545 ?
S1 Na5 S4 74.48(11) 4_545 4_545 ?
S9 Na5 Na7 128.60(17) 8_455 6 ?
S6 Na5 Na7 50.96(13) 6 6 ?
S5 Na5 Na7 127.33(19) . 6 ?
S2 Na5 Na7 52.09(16) . 6 ?
S1 Na5 Na7 54.86(16) 4_545 6 ?
S4 Na5 Na7 129.3(2) 4_545 6 ?
S9 Na5 Na6 50.87(11) 8_455 8_455 ?
S6 Na5 Na6 128.52(15) 6 8_455 ?
S5 Na5 Na6 51.14(12) . 8_455 ?
S2 Na5 Na6 126.43(17) . 8_455 ?
S1 Na5 Na6 127.50(16) 4_545 8_455 ?
S4 Na5 Na6 53.03(12) 4_545 8_455 ?
Na7 Na5 Na6 177.4(2) 6 8_455 ?
S9 Na5 Ga5 127.45(14) 8_455 4_545 ?
S6 Na5 Ga5 128.98(15) 6 4_545 ?
S5 Na5 Ga5 85.50(10) . 4_545 ?
S2 Na5 Ga5 85.87(10) . 4_545 ?
S1 Na5 Ga5 40.43(6) 4_545 4_545 ?
S4 Na5 Ga5 40.16(6) 4_545 4_545 ?
Na7 Na5 Ga5 92.07(16) 6 4_545 ?
Na6 Na5 Ga5 89.89(13) 8_455 4_545 ?
S9 Na5 Zn5 127.45(14) 8_455 4_545 ?
S6 Na5 Zn5 128.98(15) 6 4_545 ?
S5 Na5 Zn5 85.50(10) . 4_545 ?
S2 Na5 Zn5 85.87(10) . 4_545 ?
S1 Na5 Zn5 40.43(6) 4_545 4_545 ?
S4 Na5 Zn5 40.16(6) 4_545 4_545 ?
Na7 Na5 Zn5 92.07(16) 6 4_545 ?
Na6 Na5 Zn5 89.89(13) 8_455 4_545 ?
Ga5 Na5 Zn5 0.00(3) 4_545 4_545 ?
S9 Na5 Zn5 38.60(6) 8_455 7 ?
S6 Na5 Zn5 39.07(6) 6 7 ?
S5 Na5 Zn5 121.49(13) . 7 ?
S2 Na5 Zn5 123.13(12) . 7 ?
S1 Na5 Zn5 118.83(13) 4_545 7 ?
S4 Na5 Zn5 117.45(13) 4_545 7 ?
Na7 Na5 Zn5 90.00(14) 6 7 ?
Na6 Na5 Zn5 89.46(12) 8_455 7 ?
Ga5 Na5 Zn5 142.96(14) 4_545 7 ?
Zn5 Na5 Zn5 142.96(14) 4_545 7 ?
S9 Na6 S5 100.58(16) . 8_556 ?
S9 Na6 S4 95.44(18) . 5_666 ?
S5 Na6 S4 82.72(14) 8_556 5_666 ?
S9 Na6 S8 83.10(14) . . ?
S5 Na6 S8 143.3(2) 8_556 . ?
S4 Na6 S8 133.6(2) 5_666 . ?
S9 Na6 Na7 126.9(2) . 2_656 ?
S5 Na6 Na7 83.5(2) 8_556 2_656 ?
S4 Na6 Na7 137.3(2) 5_666 2_656 ?
S8 Na6 Na7 66.21(17) . 2_656 ?
S9 Na6 S8 171.26(19) . 2_656 ?
S5 Na6 S8 88.08(15) 8_556 2_656 ?
S4 Na6 S8 86.82(14) 5_666 2_656 ?
S8 Na6 S8 89.23(13) . 2_656 ?
Na7 Na6 S8 52.42(14) 2_656 2_656 ?
S9 Na6 Na5 54.83(11) . 8_556 ?
S5 Na6 Na5 58.56(12) 8_556 8_556 ?
S4 Na6 Na5 58.55(12) 5_666 8_556 ?
S8 Na6 Na5 137.90(18) . 8_556 ?
Na7 Na6 Na5 138.8(3) 2_656 8_556 ?
S8 Na6 Na5 132.56(17) 2_656 8_556 ?
S9 Na6 Na6 118.5(2) . 2_656 ?
S5 Na6 Na6 138.0(3) 8_556 2_656 ?
S4 Na6 Na6 79.04(13) 5_666 2_656 ?
S8 Na6 Na6 62.06(15) . 2_656 ?
Na7 Na6 Na6 84.77(18) 2_656 2_656 ?
S8 Na6 Na6 53.55(13) 2_656 2_656 ?
Na5 Na6 Na6 133.70(13) 8_556 2_656 ?
S9 Na6 Na3 135.12(17) . 2_656 ?
S5 Na6 Na3 51.51(10) 8_556 2_656 ?
S4 Na6 Na3 52.07(10) 5_666 2_656 ?
S8 Na6 Na3 141.19(16) . 2_656 ?
Na7 Na6 Na3 88.36(18) 2_656 2_656 ?
S8 Na6 Na3 52.11(9) 2_656 2_656 ?
Na5 Na6 Na3 80.47(13) 8_556 2_656 ?
Na6 Na6 Na3 87.97(19) 2_656 2_656 ?
S6 Na7 S2 103.2(2) . 6_556 ?
S6 Na7 S8 84.32(18) . . ?
S2 Na7 S8 144.6(4) 6_556 . ?
S6 Na7 S1 96.7(3) . 7_556 ?
S2 Na7 S1 82.09(17) 6_556 7_556 ?
S8 Na7 S1 132.0(3) . 7_556 ?
S6 Na7 Na7 128.9(4) . 2_656 ?
S2 Na7 Na7 77.8(2) 6_556 2_656 ?
S8 Na7 Na7 71.0(3) . 2_656 ?
S1 Na7 Na7 133.2(3) 7_556 2_656 ?
S6 Na7 Na6 118.1(3) . 2_656 ?
S2 Na7 Na6 133.4(2) 6_556 2_656 ?
S8 Na7 Na6 64.86(16) . 2_656 ?
S1 Na7 Na6 73.0(2) 7_556 2_656 ?
Na7 Na7 Na6 91.25(18) 2_656 2_656 ?
S6 Na7 Na5 56.41(14) . 6_556 ?
S2 Na7 Na5 59.26(14) 6_556 6_556 ?
S8 Na7 Na5 140.6(2) . 6_556 ?
S1 Na7 Na5 58.72(15) 7_556 6_556 ?
Na7 Na7 Na5 134.52(18) 2_656 6_556 ?
Na6 Na7 Na5 128.4(3) 2_656 6_556 ?
S6 Na7 Ga1 42.22(10) . . ?
S2 Na7 Ga1 133.4(3) 6_556 . ?
S8 Na7 Ga1 42.16(9) . . ?
S1 Na7 Ga1 123.5(3) 7_556 . ?
Na7 Na7 Ga1 100.6(3) 2_656 . ?
Na6 Na7 Ga1 93.05(19) 2_656 . ?
Na5 Na7 Ga1 98.63(18) 6_556 . ?
S6 Na7 Na2 136.1(2) . 2_656 ?
S2 Na7 Na2 50.60(11) 6_556 2_656 ?
S8 Na7 Na2 138.6(2) . 2_656 ?
S1 Na7 Na2 50.97(12) 7_556 2_656 ?
Na7 Na7 Na2 84.3(3) 2_656 2_656 ?
Na6 Na7 Na2 83.53(19) 2_656 2_656 ?
Na5 Na7 Na2 79.95(15) 6_556 2_656 ?
Ga1 Na7 Na2 174.2(3) . 2_656 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.184
_refine_diff_density_min         -1.090
_refine_diff_density_rms         0.174
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_11
_database_code_depnum_ccdc_archive 'CCDC 1820054'
_audit_update_record             
;
2018-01-29 deposited with the CCDC.
2018-04-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'In2 Na6 S9 Zn3'
_chemical_formula_weight         852.23

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   16.409(3)
_cell_length_b                   16.405(3)
_cell_length_c                   13.382(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.277(2)
_cell_angle_gamma                90.00
_cell_volume                     3532.7(12)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2003
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      27.25

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.122
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.205
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             3184
_exptl_absorpt_coefficient_mu    7.773
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6323
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8878
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0376
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.19
_diffrn_reflns_theta_max         24.99
_reflns_number_total             3113
_reflns_number_gt                2325
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0418P)²+18.3652P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00021(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3113
_refine_ls_number_parameters     186
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0364
_refine_ls_wR_factor_ref         0.0998
_refine_ls_wR_factor_gt          0.0918
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
In1 In 0.37375(3) 0.12855(3) 0.46257(4) 0.01804(17) Uani 0.75 1 d P . .
Zn1 Zn 0.37375(3) 0.12855(3) 0.46257(4) 0.01804(17) Uani 0.25 1 d P . .
In2 In 0.53486(5) 0.29154(5) 0.45983(6) 0.0209(2) Uani 0.10 1 d P . .
Zn2 Zn 0.53486(5) 0.29154(5) 0.45983(6) 0.0209(2) Uani 0.90 1 d P . .
In3 In 0.33601(4) 0.29176(5) 0.25115(5) 0.01601(19) Uani 0.15 1 d P . .
Zn3 Zn 0.33601(4) 0.29176(5) 0.25115(5) 0.01601(19) Uani 0.85 1 d P . .
In4 In 0.5000 0.12850(6) 0.2500 0.0171(2) Uani 0.20 2 d SP . .
Zn4 Zn 0.5000 0.12850(6) 0.2500 0.0171(2) Uani 0.80 2 d SP . .
In5 In 0.30080(3) 0.45499(3) 0.05143(4) 0.01848(17) Uani 0.80 1 d P . .
Zn5 Zn 0.30080(3) 0.45499(3) 0.05143(4) 0.01848(17) Uani 0.20 1 d P . .
In6 In 0.5000 0.45728(6) 0.2500 0.0167(2) Uani 0.20 2 d SP . .
Zn6 Zn 0.5000 0.45728(6) 0.2500 0.0167(2) Uani 0.80 2 d SP . .
S1 S 0.22795(11) 0.37044(12) 0.15475(14) 0.0239(4) Uani 1 1 d . . .
S2 S 0.44058(11) 0.04090(12) 0.35622(14) 0.0231(4) Uani 1 1 d . . .
S3 S 0.43326(11) 0.37613(11) 0.35897(13) 0.0208(4) Uani 1 1 d . . .
S4 S 0.40163(11) 0.54564(12) 0.15185(14) 0.0244(4) Uani 1 1 d . . .
S5 S 0.26831(11) 0.21114(12) 0.35681(14) 0.0230(4) Uani 1 1 d . . .
S6 S 0.30193(11) 0.03889(12) 0.56363(13) 0.0224(4) Uani 1 1 d . . .
S7 S 0.60333(11) 0.20601(12) 0.35816(13) 0.0218(4) Uani 1 1 d . . .
S8 S 0.47330(11) 0.21226(12) 0.58037(14) 0.0252(4) Uani 1 1 d . . .
S9 S 0.63555(11) 0.37383(12) 0.56455(14) 0.0248(4) Uani 1 1 d . . .
Na1 Na 0.7500 0.2500 0.5000 0.0329(11) Uani 1 2 d S . .
Na2 Na 0.58599(18) 0.08401(19) 0.5059(2) 0.0351(8) Uani 1 1 d . . .
Na3 Na 0.33165(18) 0.3367(2) 0.5012(2) 0.0355(8) Uani 1 1 d . . .
Na4 Na 0.5000 0.5000 0.5000 0.0371(11) Uani 1 2 d S . .
Na5 Na 0.2548(4) 0.0447(4) 0.2304(3) 0.102(2) Uani 1 1 d . . .
Na6 Na 0.6074(3) 0.2918(5) 0.7370(4) 0.133(3) Uani 1 1 d . . .
Na7 Na 0.4256(9) 0.0944(7) 0.7332(7) 0.309(9) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
In1 S5 2.4236(19) . ?
In1 S2 2.4303(19) . ?
In1 S6 2.4505(18) . ?
In1 S8 2.4561(19) . ?
In1 Na3 3.544(3) 7_556 ?
In1 Na2 3.559(3) 5_656 ?
In1 Na7 3.599(9) . ?
In2 S9 2.369(2) . ?
In2 S3 2.3764(19) . ?
In2 S7 2.383(2) . ?
In2 S8 2.439(2) . ?
In3 S1 2.3622(19) . ?
In3 S5 2.3657(19) . ?
In3 S3 2.3756(19) . ?
In3 S7 2.3829(19) 2_655 ?
In3 Na1 3.4499(9) 2_655 ?
In4 S2 2.3619(19) . ?
In4 S2 2.3619(19) 2_655 ?
In4 S7 2.3721(18) . ?
In4 S7 2.3721(18) 2_655 ?
In4 Na2 3.516(3) 2_655 ?
In4 Na2 3.516(3) . ?
In5 S4 2.4258(19) . ?
In5 S9 2.4304(19) 2_655 ?
In5 S1 2.4312(19) . ?
In5 S6 2.4682(18) 4 ?
In5 Na1 3.5004(8) 2_655 ?
In5 Na2 3.516(3) 8_455 ?
In5 Na3 3.538(3) 6_565 ?
In5 Na5 3.544(5) 4 ?
In5 Na4 3.5472(8) 2_655 ?
In5 Na5 3.703(4) 7 ?
In6 S4 2.3671(19) 2_655 ?
In6 S4 2.3671(19) . ?
In6 S3 2.3922(18) . ?
In6 S3 2.3922(18) 2_655 ?
In6 Na4 3.4181(7) 2_655 ?
S1 Na2 2.853(3) 8_455 ?
S1 Na1 2.935(2) 2_655 ?
S1 Na7 3.226(16) 7_556 ?
S1 Na5 3.231(6) 4 ?
S2 Na7 2.745(10) 6 ?
S2 Na2 2.848(3) 5_656 ?
S2 Na2 2.887(3) . ?
S2 Na5 3.182(6) . ?
S3 Na3 2.839(3) . ?
S3 Na4 2.8428(18) . ?
S4 Na3 2.864(4) 6_565 ?
S4 Na4 2.9289(19) 2_655 ?
S4 Na6 3.071(8) 5_666 ?
S4 Na5 3.264(6) 4 ?
S5 Na6 2.809(6) 8_455 ?
S5 Na3 2.853(3) 7_556 ?
S5 Na3 2.876(4) . ?
S5 Na5 3.197(6) . ?
S6 Zn5 2.4682(18) 4_545 ?
S6 In5 2.4682(18) 4_545 ?
S6 Na5 2.852(5) 6_556 ?
S6 Na7 2.880(10) . ?
S6 Na3 2.996(4) 7_556 ?
S6 Na2 2.997(4) 5_656 ?
S7 Zn3 2.3829(19) 2_655 ?
S7 In3 2.3829(19) 2_655 ?
S7 Na1 2.8511(17) . ?
S7 Na2 2.866(3) . ?
S8 Na6 3.022(5) . ?
S8 Na7 3.027(10) . ?
S8 Na2 3.092(4) . ?
S8 Na3 3.119(4) . ?
S8 Na6 3.271(5) 2_656 ?
S8 Na7 3.331(10) 2_656 ?
S9 Zn5 2.4304(19) 2_655 ?
S9 In5 2.4304(19) 2_655 ?
S9 Na6 2.786(5) . ?
S9 Na5 2.974(5) 8_556 ?
S9 Na1 3.006(2) . ?
S9 Na4 3.037(2) . ?
Na1 S7 2.8511(17) 7_656 ?
Na1 S1 2.935(2) 2_655 ?
Na1 S1 2.935(2) 8_556 ?
Na1 S9 3.006(2) 7_656 ?
Na1 Zn3 3.4499(9) 2_655 ?
Na1 In3 3.4499(9) 2_655 ?
Na1 Zn3 3.4499(9) 8_556 ?
Na1 In3 3.4499(9) 8_556 ?
Na1 Zn5 3.5004(8) 2_655 ?
Na1 In5 3.5004(8) 2_655 ?
Na2 S2 2.848(3) 5_656 ?
Na2 S1 2.853(3) 8_556 ?
Na2 S6 2.997(4) 5_656 ?
Na2 Zn5 3.516(3) 8_556 ?
Na2 In5 3.516(3) 8_556 ?
Na3 S5 2.853(3) 7_556 ?
Na3 S4 2.864(4) 6_566 ?
Na3 S6 2.996(4) 7_556 ?
Na3 Na6 3.529(6) 2_656 ?
Na3 Zn5 3.538(3) 6_566 ?
Na3 In5 3.538(3) 6_566 ?
Na3 In1 3.544(3) 7_556 ?
Na4 S3 2.8428(18) 5_666 ?
Na4 S4 2.9289(19) 2_655 ?
Na4 S4 2.9289(19) 6_566 ?
Na4 S9 3.037(2) 5_666 ?
Na4 Zn6 3.4181(6) 5_666 ?
Na4 In6 3.4181(6) 5_666 ?
Na4 In2 3.5258(10) 5_666 ?
Na4 Zn2 3.5258(10) 5_666 ?
Na5 S6 2.852(5) 6 ?
Na5 S9 2.974(5) 8_455 ?
Na5 S1 3.231(6) 4_545 ?
Na5 S4 3.264(6) 4_545 ?
Na5 In5 3.544(5) 4_545 ?
Na5 Zn5 3.544(5) 4_545 ?
Na5 Na7 3.608(13) 6 ?
Na5 Na6 3.624(7) 8_455 ?
Na5 In5 3.703(4) 7 ?
Na6 S5 2.809(6) 8_556 ?
Na6 S4 3.071(8) 5_666 ?
Na6 S8 3.271(5) 2_656 ?
Na6 Na7 3.321(15) 2_656 ?
Na6 Na3 3.529(6) 2_656 ?
Na6 Na6 3.610(12) 2_656 ?
Na6 Na5 3.624(7) 8_556 ?
Na7 Na7 2.39(3) 2_656 ?
Na7 S2 2.745(10) 6_556 ?
Na7 S1 3.226(16) 7_556 ?
Na7 Na6 3.321(15) 2_656 ?
Na7 S8 3.331(10) 2_656 ?
Na7 Na2 3.538(11) 2_656 ?
Na7 Na5 3.608(13) 6_556 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S5 In1 S2 109.95(7) . . ?
S5 In1 S6 107.00(7) . . ?
S2 In1 S6 106.79(7) . . ?
S5 In1 S8 111.81(7) . . ?
S2 In1 S8 112.77(7) . . ?
S6 In1 S8 108.22(7) . . ?
S5 In1 Na3 53.18(7) . 7_556 ?
S2 In1 Na3 136.51(7) . 7_556 ?
S6 In1 Na3 56.50(7) . 7_556 ?
S8 In1 Na3 110.68(7) . 7_556 ?
S5 In1 Na2 135.38(7) . 5_656 ?
S2 In1 Na2 52.78(7) . 5_656 ?
S6 In1 Na2 56.26(7) . 5_656 ?
S8 In1 Na2 112.77(7) . 5_656 ?
Na3 In1 Na2 107.50(7) 7_556 5_656 ?
S5 In1 Na7 132.5(3) . . ?
S2 In1 Na7 116.9(3) . . ?
S6 In1 Na7 52.8(2) . . ?
S8 In1 Na7 56.25(18) . . ?
Na3 In1 Na7 86.1(3) 7_556 . ?
Na2 In1 Na7 74.1(2) 5_656 . ?
S9 In2 S3 109.51(7) . . ?
S9 In2 S7 108.73(7) . . ?
S3 In2 S7 112.10(7) . . ?
S9 In2 S8 104.10(7) . . ?
S3 In2 S8 110.59(7) . . ?
S7 In2 S8 111.47(7) . . ?
S1 In3 S5 103.99(7) . . ?
S1 In3 S3 110.89(7) . . ?
S5 In3 S3 107.51(7) . . ?
S1 In3 S7 110.27(7) . 2_655 ?
S5 In3 S7 109.77(7) . 2_655 ?
S3 In3 S7 113.90(7) . 2_655 ?
S1 In3 Na1 57.05(5) . 2_655 ?
S5 In3 Na1 108.71(5) . 2_655 ?
S3 In3 Na1 143.67(5) . 2_655 ?
S7 In3 Na1 54.91(4) 2_655 2_655 ?
S2 In4 S2 105.04(10) . 2_655 ?
S2 In4 S7 106.79(6) . . ?
S2 In4 S7 111.31(6) 2_655 . ?
S2 In4 S7 111.31(6) . 2_655 ?
S2 In4 S7 106.79(6) 2_655 2_655 ?
S7 In4 S7 115.18(10) . 2_655 ?
S2 In4 Na2 109.00(7) . 2_655 ?
S2 In4 Na2 54.67(7) 2_655 2_655 ?
S7 In4 Na2 143.95(7) . 2_655 ?
S7 In4 Na2 54.13(7) 2_655 2_655 ?
S2 In4 Na2 54.67(7) . . ?
S2 In4 Na2 109.00(7) 2_655 . ?
S7 In4 Na2 54.13(7) . . ?
S7 In4 Na2 143.95(7) 2_655 . ?
Na2 In4 Na2 156.03(11) 2_655 . ?
S4 In5 S9 110.97(7) . 2_655 ?
S4 In5 S1 113.12(7) . . ?
S9 In5 S1 111.79(7) 2_655 . ?
S4 In5 S6 108.20(7) . 4 ?
S9 In5 S6 103.50(6) 2_655 4 ?
S1 In5 S6 108.73(6) . 4 ?
S4 In5 Na1 143.92(5) . 2_655 ?
S9 In5 Na1 57.57(5) 2_655 2_655 ?
S1 In5 Na1 55.88(5) . 2_655 ?
S6 In5 Na1 107.80(5) 4 2_655 ?
S4 In5 Na2 139.42(7) . 8_455 ?
S9 In5 Na2 109.33(7) 2_655 8_455 ?
S1 In5 Na2 53.64(7) . 8_455 ?
S6 In5 Na2 56.91(7) 4 8_455 ?
Na1 In5 Na2 66.36(5) 2_655 8_455 ?
S4 In5 Na3 53.55(7) . 6_565 ?
S9 In5 Na3 108.20(7) 2_655 6_565 ?
S1 In5 Na3 139.78(7) . 6_565 ?
S6 In5 Na3 56.53(7) 4 6_565 ?
Na1 In5 Na3 158.11(5) 2_655 6_565 ?
Na2 In5 Na3 108.58(7) 8_455 6_565 ?
S4 In5 Na5 63.05(9) . 4 ?
S9 In5 Na5 164.89(11) 2_655 4 ?
S1 In5 Na5 62.22(10) . 4 ?
S6 In5 Na5 91.61(11) 4 4 ?
Na1 In5 Na5 118.09(9) 2_655 4 ?
Na2 In5 Na5 78.91(10) 8_455 4 ?
Na3 In5 Na5 79.93(10) 6_565 4 ?
S4 In5 Na4 54.93(4) . 2_655 ?
S9 In5 Na4 57.50(5) 2_655 2_655 ?
S1 In5 Na4 143.45(5) . 2_655 ?
S6 In5 Na4 107.80(5) 4 2_655 ?
Na1 In5 Na4 110.785(14) 2_655 2_655 ?
Na2 In5 Na4 159.18(5) 8_455 2_655 ?
Na3 In5 Na4 65.83(5) 6_565 2_655 ?
Na5 In5 Na4 117.96(8) 4 2_655 ?
S4 In5 Na5 124.67(12) . 7 ?
S9 In5 Na5 53.23(9) 2_655 7 ?
S1 In5 Na5 121.97(12) . 7 ?
S6 In5 Na5 50.32(9) 4 7 ?
Na1 In5 Na5 78.43(10) 2_655 7 ?
Na2 In5 Na5 77.57(11) 8_455 7 ?
Na3 In5 Na5 79.68(11) 6_565 7 ?
Na5 In5 Na5 141.87(13) 4 7 ?
Na4 In5 Na5 81.66(10) 2_655 7 ?
S4 In6 S4 104.47(10) 2_655 . ?
S4 In6 S3 110.26(6) 2_655 . ?
S4 In6 S3 109.59(6) . . ?
S4 In6 S3 109.59(6) 2_655 2_655 ?
S4 In6 S3 110.26(6) . 2_655 ?
S3 In6 S3 112.38(10) . 2_655 ?
S4 In6 Na4 106.68(5) 2_655 2_655 ?
S4 In6 Na4 57.44(4) . 2_655 ?
S3 In6 Na4 142.97(5) . 2_655 ?
S3 In6 Na4 55.24(4) 2_655 2_655 ?
In3 S1 In5 102.84(7) . . ?
In3 S1 Na2 161.39(11) . 8_455 ?
In5 S1 Na2 83.03(8) . 8_455 ?
In3 S1 Na1 80.48(6) . 2_655 ?
In5 S1 Na1 80.83(6) . 2_655 ?
Na2 S1 Na1 83.11(8) 8_455 2_655 ?
In3 S1 Na7 114.52(19) . 7_556 ?
In5 S1 Na7 132.7(2) . 7_556 ?
Na2 S1 Na7 70.88(18) 8_455 7_556 ?
Na1 S1 Na7 131.6(2) 2_655 7_556 ?
In3 S1 Na5 103.71(12) . 4 ?
In5 S1 Na5 76.04(10) . 4 ?
Na2 S1 Na5 94.83(13) 8_455 4 ?
Na1 S1 Na5 156.86(11) 2_655 4 ?
Na7 S1 Na5 67.9(2) 7_556 4 ?
In4 S2 In1 106.20(8) . . ?
In4 S2 Na7 97.5(3) . 6 ?
In1 S2 Na7 146.3(4) . 6 ?
In4 S2 Na2 164.03(10) . 5_656 ?
In1 S2 Na2 84.40(8) . 5_656 ?
Na7 S2 Na2 78.5(3) 6 5_656 ?
In4 S2 Na2 83.45(8) . . ?
In1 S2 Na2 81.67(8) . . ?
Na7 S2 Na2 125.4(3) 6 . ?
Na2 S2 Na2 86.40(10) 5_656 . ?
In4 S2 Na5 97.77(12) . . ?
In1 S2 Na5 78.64(10) . . ?
Na7 S2 Na5 74.6(3) 6 . ?
Na2 S2 Na5 96.01(13) 5_656 . ?
Na2 S2 Na5 159.82(13) . . ?
In3 S3 In2 108.54(8) . . ?
In3 S3 In6 106.69(7) . . ?
In2 S3 In6 108.49(7) . . ?
In3 S3 Na3 82.05(8) . . ?
In2 S3 Na3 85.70(9) . . ?
In6 S3 Na3 159.10(11) . . ?
In3 S3 Na4 160.99(8) . . ?
In2 S3 Na4 84.49(6) . . ?
In6 S3 Na4 81.03(6) . . ?
Na3 S3 Na4 85.31(8) . . ?
In6 S4 In5 104.43(8) . . ?
In6 S4 Na3 159.94(10) . 6_565 ?
In5 S4 Na3 83.51(8) . 6_565 ?
In6 S4 Na4 79.62(5) . 2_655 ?
In5 S4 Na4 82.39(6) . 2_655 ?
Na3 S4 Na4 83.30(8) 6_565 2_655 ?
In6 S4 Na6 110.80(12) . 5_666 ?
In5 S4 Na6 135.09(13) . 5_666 ?
Na3 S4 Na6 72.87(13) 6_565 5_666 ?
Na4 S4 Na6 130.06(12) 2_655 5_666 ?
In6 S4 Na5 104.15(12) . 4 ?
In5 S4 Na5 75.46(10) . 4 ?
Na3 S4 Na5 95.64(13) 6_565 4 ?
Na4 S4 Na5 157.79(11) 2_655 4 ?
Na6 S4 Na5 69.71(15) 5_666 4 ?
In3 S5 In1 107.25(7) . . ?
In3 S5 Na6 99.63(16) . 8_455 ?
In1 S5 Na6 143.87(19) . 8_455 ?
In3 S5 Na3 161.88(11) . 7_556 ?
In1 S5 Na3 83.97(9) . 7_556 ?
Na6 S5 Na3 77.11(15) 8_455 7_556 ?
In3 S5 Na3 81.42(8) . . ?
In1 S5 Na3 83.41(8) . . ?
Na6 S5 Na3 124.88(16) 8_455 . ?
Na3 S5 Na3 85.92(10) 7_556 . ?
In3 S5 Na5 98.82(12) . . ?
In1 S5 Na5 78.42(10) . . ?
Na6 S5 Na5 73.90(17) 8_455 . ?
Na3 S5 Na5 97.35(13) 7_556 . ?
Na3 S5 Na5 161.06(13) . . ?
In1 S6 Zn5 109.50(7) . 4_545 ?
In1 S6 In5 109.50(7) . 4_545 ?
Zn5 S6 In5 0.00(3) 4_545 4_545 ?
In1 S6 Na5 162.50(12) . 6_556 ?
Zn5 S6 Na5 87.91(11) 4_545 6_556 ?
In5 S6 Na5 87.91(11) 4_545 6_556 ?
In1 S6 Na7 84.5(2) . . ?
Zn5 S6 Na7 163.3(2) 4_545 . ?
In5 S6 Na7 163.3(2) 4_545 . ?
Na5 S6 Na7 78.0(2) 6_556 . ?
In1 S6 Na3 80.50(8) . 7_556 ?
Zn5 S6 Na3 80.06(8) 4_545 7_556 ?
In5 S6 Na3 80.06(8) 4_545 7_556 ?
Na5 S6 Na3 105.00(16) 6_556 7_556 ?
Na7 S6 Na3 112.1(3) . 7_556 ?
In1 S6 Na2 80.91(8) . 5_656 ?
Zn5 S6 Na2 79.45(8) 4_545 5_656 ?
In5 S6 Na2 79.45(8) 4_545 5_656 ?
Na5 S6 Na2 101.32(16) 6_556 5_656 ?
Na7 S6 Na2 94.4(3) . 5_656 ?
Na3 S6 Na2 145.78(10) 7_556 5_656 ?
In4 S7 Zn3 106.04(7) . 2_655 ?
In4 S7 In3 106.04(7) . 2_655 ?
Zn3 S7 In3 0.00(4) 2_655 2_655 ?
In4 S7 In2 107.66(7) . . ?
Zn3 S7 In2 107.64(8) 2_655 . ?
In3 S7 In2 107.64(8) 2_655 . ?
In4 S7 Na1 162.08(9) . . ?
Zn3 S7 Na1 81.94(5) 2_655 . ?
In3 S7 Na1 81.94(5) 2_655 . ?
In2 S7 Na1 84.36(6) . . ?
In4 S7 Na2 83.74(8) . . ?
Zn3 S7 Na2 160.97(10) 2_655 . ?
In3 S7 Na2 160.97(10) 2_655 . ?
In2 S7 Na2 84.02(8) . . ?
Na1 S7 Na2 84.39(7) . . ?
In2 S8 In1 100.55(7) . . ?
In2 S8 Na6 83.61(11) . . ?
In1 S8 Na6 171.59(17) . . ?
In2 S8 Na7 169.3(3) . . ?
In1 S8 Na7 81.3(2) . . ?
Na6 S8 Na7 93.3(2) . . ?
In2 S8 Na2 78.37(8) . . ?
In1 S8 Na2 77.13(8) . . ?
Na6 S8 Na2 96.73(17) . . ?
Na7 S8 Na2 91.9(3) . . ?
In2 S8 Na3 78.69(8) . . ?
In1 S8 Na3 77.88(8) . . ?
Na6 S8 Na3 110.24(18) . . ?
Na7 S8 Na3 111.9(3) . . ?
Na2 S8 Na3 142.06(10) . . ?
In2 S8 Na6 124.19(17) . 2_656 ?
In1 S8 Na6 112.77(14) . 2_656 ?
Na6 S8 Na6 69.9(2) . 2_656 ?
Na7 S8 Na6 63.5(3) . 2_656 ?
Na2 S8 Na6 150.18(14) . 2_656 ?
Na3 S8 Na6 66.98(11) . 2_656 ?
In2 S8 Na7 126.5(3) . 2_656 ?
In1 S8 Na7 109.1(2) . 2_656 ?
Na6 S8 Na7 62.8(3) . 2_656 ?
Na7 S8 Na7 43.9(6) . 2_656 ?
Na2 S8 Na7 66.7(2) . 2_656 ?
Na3 S8 Na7 149.7(2) . 2_656 ?
Na6 S8 Na7 83.5(2) 2_656 2_656 ?
In2 S9 Zn5 105.75(7) . 2_655 ?
In2 S9 In5 105.75(7) . 2_655 ?
Zn5 S9 In5 0.00(3) 2_655 2_655 ?
In2 S9 Na6 90.31(13) . . ?
Zn5 S9 Na6 162.72(13) 2_655 . ?
In5 S9 Na6 162.72(13) 2_655 . ?
In2 S9 Na5 168.19(12) . 8_556 ?
Zn5 S9 Na5 85.87(10) 2_655 8_556 ?
In5 S9 Na5 85.87(10) 2_655 8_556 ?
Na6 S9 Na5 77.90(15) . 8_556 ?
In2 S9 Na1 81.23(6) . . ?
Zn5 S9 Na1 79.40(5) 2_655 . ?
In5 S9 Na1 79.40(5) 2_655 . ?
Na6 S9 Na1 97.22(18) . . ?
Na5 S9 Na1 99.29(14) 8_556 . ?
In2 S9 Na4 80.38(6) . . ?
Zn5 S9 Na4 80.05(6) 2_655 . ?
In5 S9 Na4 80.05(6) 2_655 . ?
Na6 S9 Na4 109.50(17) . . ?
Na5 S9 Na4 104.14(14) 8_556 . ?
Na1 S9 Na4 147.43(7) . . ?
S7 Na1 S7 180.0 . 7_656 ?
S7 Na1 S1 84.56(5) . 2_655 ?
S7 Na1 S1 95.44(5) 7_656 2_655 ?
S7 Na1 S1 95.44(5) . 8_556 ?
S7 Na1 S1 84.56(5) 7_656 8_556 ?
S1 Na1 S1 180.00(6) 2_655 8_556 ?
S7 Na1 S9 82.47(5) . . ?
S7 Na1 S9 97.53(5) 7_656 . ?
S1 Na1 S9 85.30(5) 2_655 . ?
S1 Na1 S9 94.70(5) 8_556 . ?
S7 Na1 S9 97.53(5) . 7_656 ?
S7 Na1 S9 82.47(5) 7_656 7_656 ?
S1 Na1 S9 94.70(5) 2_655 7_656 ?
S1 Na1 S9 85.30(5) 8_556 7_656 ?
S9 Na1 S9 180.00(7) . 7_656 ?
S7 Na1 Zn3 43.15(4) . 2_655 ?
S7 Na1 Zn3 136.85(4) 7_656 2_655 ?
S1 Na1 Zn3 42.48(4) 2_655 2_655 ?
S1 Na1 Zn3 137.52(4) 8_556 2_655 ?
S9 Na1 Zn3 89.21(4) . 2_655 ?
S9 Na1 Zn3 90.79(4) 7_656 2_655 ?
S7 Na1 In3 43.15(4) . 2_655 ?
S7 Na1 In3 136.85(4) 7_656 2_655 ?
S1 Na1 In3 42.48(4) 2_655 2_655 ?
S1 Na1 In3 137.52(4) 8_556 2_655 ?
S9 Na1 In3 89.21(4) . 2_655 ?
S9 Na1 In3 90.79(4) 7_656 2_655 ?
Zn3 Na1 In3 0.00(2) 2_655 2_655 ?
S7 Na1 Zn3 136.85(4) . 8_556 ?
S7 Na1 Zn3 43.15(4) 7_656 8_556 ?
S1 Na1 Zn3 137.52(4) 2_655 8_556 ?
S1 Na1 Zn3 42.48(4) 8_556 8_556 ?
S9 Na1 Zn3 90.79(4) . 8_556 ?
S9 Na1 Zn3 89.21(4) 7_656 8_556 ?
Zn3 Na1 Zn3 180.0 2_655 8_556 ?
In3 Na1 Zn3 180.0 2_655 8_556 ?
S7 Na1 In3 136.85(4) . 8_556 ?
S7 Na1 In3 43.15(4) 7_656 8_556 ?
S1 Na1 In3 137.52(4) 2_655 8_556 ?
S1 Na1 In3 42.48(4) 8_556 8_556 ?
S9 Na1 In3 90.79(4) . 8_556 ?
S9 Na1 In3 89.21(4) 7_656 8_556 ?
Zn3 Na1 In3 180.0 2_655 8_556 ?
In3 Na1 In3 180.0 2_655 8_556 ?
Zn3 Na1 In3 0.00(3) 8_556 8_556 ?
S7 Na1 Zn5 88.55(4) . 2_655 ?
S7 Na1 Zn5 91.45(4) 7_656 2_655 ?
S1 Na1 Zn5 43.29(4) 2_655 2_655 ?
S1 Na1 Zn5 136.71(4) 8_556 2_655 ?
S9 Na1 Zn5 43.04(4) . 2_655 ?
S9 Na1 Zn5 136.96(4) 7_656 2_655 ?
Zn3 Na1 Zn5 65.251(15) 2_655 2_655 ?
In3 Na1 Zn5 65.251(15) 2_655 2_655 ?
Zn3 Na1 Zn5 114.749(15) 8_556 2_655 ?
In3 Na1 Zn5 114.749(15) 8_556 2_655 ?
S7 Na1 In5 88.55(4) . 2_655 ?
S7 Na1 In5 91.45(4) 7_656 2_655 ?
S1 Na1 In5 43.29(4) 2_655 2_655 ?
S1 Na1 In5 136.71(4) 8_556 2_655 ?
S9 Na1 In5 43.04(4) . 2_655 ?
S9 Na1 In5 136.96(4) 7_656 2_655 ?
Zn3 Na1 In5 65.251(15) 2_655 2_655 ?
In3 Na1 In5 65.251(15) 2_655 2_655 ?
Zn3 Na1 In5 114.749(15) 8_556 2_655 ?
In3 Na1 In5 114.749(15) 8_556 2_655 ?
Zn5 Na1 In5 0.000(17) 2_655 2_655 ?
S2 Na2 S1 86.76(10) 5_656 8_556 ?
S2 Na2 S7 176.28(13) 5_656 . ?
S1 Na2 S7 96.96(10) 8_556 . ?
S2 Na2 S2 93.60(10) 5_656 . ?
S1 Na2 S2 178.82(14) 8_556 . ?
S7 Na2 S2 82.69(9) . . ?
S2 Na2 S6 84.15(10) 5_656 5_656 ?
S1 Na2 S6 85.76(9) 8_556 5_656 ?
S7 Na2 S6 96.08(10) . 5_656 ?
S2 Na2 S6 95.39(10) . 5_656 ?
S2 Na2 S8 95.95(10) 5_656 . ?
S1 Na2 S8 93.14(10) 8_556 . ?
S7 Na2 S8 83.89(10) . . ?
S2 Na2 S8 85.71(9) . . ?
S6 Na2 S8 178.89(12) 5_656 . ?
S2 Na2 In4 134.22(11) 5_656 . ?
S1 Na2 In4 138.01(11) 8_556 . ?
S7 Na2 In4 42.12(5) . . ?
S2 Na2 In4 41.87(5) . . ?
S6 Na2 In4 89.49(9) 5_656 . ?
S8 Na2 In4 91.22(8) . . ?
S2 Na2 Zn5 91.84(9) 5_656 8_556 ?
S1 Na2 Zn5 43.34(6) 8_556 8_556 ?
S7 Na2 Zn5 90.87(8) . 8_556 ?
S2 Na2 Zn5 137.74(11) . 8_556 ?
S6 Na2 Zn5 43.63(5) 5_656 8_556 ?
S8 Na2 Zn5 135.26(11) . 8_556 ?
In4 Na2 Zn5 113.86(8) . 8_556 ?
S2 Na2 In5 91.84(9) 5_656 8_556 ?
S1 Na2 In5 43.34(6) 8_556 8_556 ?
S7 Na2 In5 90.87(8) . 8_556 ?
S2 Na2 In5 137.74(11) . 8_556 ?
S6 Na2 In5 43.63(5) 5_656 8_556 ?
S8 Na2 In5 135.26(11) . 8_556 ?
In4 Na2 In5 113.86(8) . 8_556 ?
Zn5 Na2 In5 0.00(2) 8_556 8_556 ?
S3 Na3 S5 177.17(14) . 7_556 ?
S3 Na3 S4 96.39(10) . 6_566 ?
S5 Na3 S4 85.41(10) 7_556 6_566 ?
S3 Na3 S5 83.99(9) . . ?
S5 Na3 S5 94.08(10) 7_556 . ?
S4 Na3 S5 176.42(14) 6_566 . ?
S3 Na3 S6 98.23(11) . 7_556 ?
S5 Na3 S6 84.08(9) 7_556 7_556 ?
S4 Na3 S6 85.11(10) 6_566 7_556 ?
S5 Na3 S6 98.37(10) . 7_556 ?
S3 Na3 S8 83.14(9) . . ?
S5 Na3 S8 94.64(10) 7_556 . ?
S4 Na3 S8 91.85(10) 6_566 . ?
S5 Na3 S8 84.65(10) . . ?
S6 Na3 S8 176.78(12) 7_556 . ?
S3 Na3 Na6 128.59(14) . 2_656 ?
S5 Na3 Na6 50.89(12) 7_556 2_656 ?
S4 Na3 Na6 56.27(15) 6_566 2_656 ?
S5 Na3 Na6 120.84(17) . 2_656 ?
S6 Na3 Na6 118.60(13) 7_556 2_656 ?
S8 Na3 Na6 58.57(11) . 2_656 ?
S3 Na3 Zn5 91.84(9) . 6_566 ?
S5 Na3 Zn5 90.97(9) 7_556 6_566 ?
S4 Na3 Zn5 42.94(6) 6_566 6_566 ?
S5 Na3 Zn5 140.64(11) . 6_566 ?
S6 Na3 Zn5 43.41(6) 7_556 6_566 ?
S8 Na3 Zn5 133.81(10) . 6_566 ?
Na6 Na3 Zn5 92.06(14) 2_656 6_566 ?
S3 Na3 In5 91.84(9) . 6_566 ?
S5 Na3 In5 90.97(9) 7_556 6_566 ?
S4 Na3 In5 42.94(6) 6_566 6_566 ?
S5 Na3 In5 140.64(11) . 6_566 ?
S6 Na3 In5 43.41(6) 7_556 6_566 ?
S8 Na3 In5 133.81(10) . 6_566 ?
Na6 Na3 In5 92.06(14) 2_656 6_566 ?
Zn5 Na3 In5 0.00(2) 6_566 6_566 ?
S3 Na3 In1 138.94(11) . 7_556 ?
S5 Na3 In1 42.85(5) 7_556 7_556 ?
S4 Na3 In1 93.23(9) 6_566 7_556 ?
S5 Na3 In1 88.78(8) . 7_556 ?
S6 Na3 In1 43.00(5) 7_556 7_556 ?
S8 Na3 In1 136.40(11) . 7_556 ?
Na6 Na3 In1 89.42(11) 2_656 7_556 ?
Zn5 Na3 In1 69.11(6) 6_566 7_556 ?
In5 Na3 In1 69.11(6) 6_566 7_556 ?
S3 Na4 S3 180.00(5) 5_666 . ?
S3 Na4 S4 94.87(5) 5_666 2_655 ?
S3 Na4 S4 85.13(5) . 2_655 ?
S3 Na4 S4 85.13(5) 5_666 6_566 ?
S3 Na4 S4 94.87(5) . 6_566 ?
S4 Na4 S4 180.00(7) 2_655 6_566 ?
S3 Na4 S9 82.38(5) 5_666 5_666 ?
S3 Na4 S9 97.62(5) . 5_666 ?
S4 Na4 S9 95.78(5) 2_655 5_666 ?
S4 Na4 S9 84.22(5) 6_566 5_666 ?
S3 Na4 S9 97.62(5) 5_666 . ?
S3 Na4 S9 82.38(5) . . ?
S4 Na4 S9 84.22(5) 2_655 . ?
S4 Na4 S9 95.78(5) 6_566 . ?
S9 Na4 S9 180.0 5_666 . ?
S3 Na4 Zn6 43.73(4) 5_666 5_666 ?
S3 Na4 Zn6 136.27(4) . 5_666 ?
S4 Na4 Zn6 137.06(4) 2_655 5_666 ?
S4 Na4 Zn6 42.94(4) 6_566 5_666 ?
S9 Na4 Zn6 89.91(4) 5_666 5_666 ?
S9 Na4 Zn6 90.09(4) . 5_666 ?
S3 Na4 In6 43.73(4) 5_666 5_666 ?
S3 Na4 In6 136.27(4) . 5_666 ?
S4 Na4 In6 137.06(4) 2_655 5_666 ?
S4 Na4 In6 42.94(4) 6_566 5_666 ?
S9 Na4 In6 89.91(4) 5_666 5_666 ?
S9 Na4 In6 90.09(4) . 5_666 ?
Zn6 Na4 In6 0.0 5_666 5_666 ?
S3 Na4 In2 42.13(4) 5_666 5_666 ?
S3 Na4 In2 137.87(4) . 5_666 ?
S4 Na4 In2 89.18(4) 2_655 5_666 ?
S4 Na4 In2 90.82(4) 6_566 5_666 ?
S9 Na4 In2 41.48(4) 5_666 5_666 ?
S9 Na4 In2 138.52(4) . 5_666 ?
Zn6 Na4 In2 67.72(2) 5_666 5_666 ?
In6 Na4 In2 67.72(2) 5_666 5_666 ?
S3 Na4 Zn2 42.13(4) 5_666 5_666 ?
S3 Na4 Zn2 137.87(4) . 5_666 ?
S4 Na4 Zn2 89.18(4) 2_655 5_666 ?
S4 Na4 Zn2 90.82(4) 6_566 5_666 ?
S9 Na4 Zn2 41.48(4) 5_666 5_666 ?
S9 Na4 Zn2 138.52(4) . 5_666 ?
Zn6 Na4 Zn2 67.72(2) 5_666 5_666 ?
In6 Na4 Zn2 67.72(2) 5_666 5_666 ?
In2 Na4 Zn2 0.00(3) 5_666 5_666 ?
S6 Na5 S9 82.63(12) 6 8_455 ?
S6 Na5 S2 91.51(15) 6 . ?
S9 Na5 S2 145.7(2) 8_455 . ?
S6 Na5 S5 145.4(2) 6 . ?
S9 Na5 S5 88.76(15) 8_455 . ?
S2 Na5 S5 77.08(14) . . ?
S6 Na5 S1 86.28(15) 6 4_545 ?
S9 Na5 S1 137.4(2) 8_455 4_545 ?
S2 Na5 S1 75.25(12) . 4_545 ?
S5 Na5 S1 120.88(14) . 4_545 ?
S6 Na5 S4 137.7(2) 6 4_545 ?
S9 Na5 S4 83.88(14) 8_455 4_545 ?
S2 Na5 S4 120.47(14) . 4_545 ?
S5 Na5 S4 73.74(11) . 4_545 ?
S1 Na5 S4 77.22(14) 4_545 4_545 ?
S6 Na5 In5 126.7(2) 6 4_545 ?
S9 Na5 In5 124.30(18) 8_455 4_545 ?
S2 Na5 In5 86.00(11) . 4_545 ?
S5 Na5 In5 85.47(11) . 4_545 ?
S1 Na5 In5 41.74(8) 4_545 4_545 ?
S4 Na5 In5 41.49(7) 4_545 4_545 ?
S6 Na5 Zn5 126.7(2) 6 4_545 ?
S9 Na5 Zn5 124.30(18) 8_455 4_545 ?
S2 Na5 Zn5 86.00(11) . 4_545 ?
S5 Na5 Zn5 85.47(11) . 4_545 ?
S1 Na5 Zn5 41.74(8) 4_545 4_545 ?
S4 Na5 Zn5 41.49(7) 4_545 4_545 ?
In5 Na5 Zn5 0.00(2) 4_545 4_545 ?
S6 Na5 Na7 51.34(16) 6 6 ?
S9 Na5 Na7 133.5(2) 8_455 6 ?
S2 Na5 Na7 47.18(19) . 6 ?
S5 Na5 Na7 124.1(2) . 6 ?
S1 Na5 Na7 56.0(3) 4_545 6 ?
S4 Na5 Na7 132.9(3) 4_545 6 ?
In5 Na5 Na7 93.1(2) 4_545 6 ?
Zn5 Na5 Na7 93.1(2) 4_545 6 ?
S6 Na5 Na6 131.23(17) 6 8_455 ?
S9 Na5 Na6 48.74(11) 8_455 8_455 ?
S2 Na5 Na6 125.2(2) . 8_455 ?
S5 Na5 Na6 48.13(12) . 8_455 ?
S1 Na5 Na6 129.8(2) 4_545 8_455 ?
S4 Na5 Na6 52.64(14) 4_545 8_455 ?
In5 Na5 Na6 90.39(15) 4_545 8_455 ?
Zn5 Na5 Na6 90.39(15) 4_545 8_455 ?
Na7 Na5 Na6 171.2(3) 6 8_455 ?
S6 Na5 In5 41.77(7) 6 7 ?
S9 Na5 In5 40.90(7) 8_455 7 ?
S2 Na5 In5 123.97(16) . 7 ?
S5 Na5 In5 121.03(17) . 7 ?
S1 Na5 In5 117.84(17) 4_545 7 ?
S4 Na5 In5 115.55(16) 4_545 7 ?
In5 Na5 In5 142.0(2) 4_545 7 ?
Zn5 Na5 In5 142.0(2) 4_545 7 ?
Na7 Na5 In5 92.74(17) 6 7 ?
Na6 Na5 In5 89.48(13) 8_455 7 ?
S9 Na6 S5 101.06(17) . 8_556 ?
S9 Na6 S8 81.40(13) . . ?
S5 Na6 S8 149.8(3) 8_556 . ?
S9 Na6 S4 90.8(2) . 5_666 ?
S5 Na6 S4 82.39(16) 8_556 5_666 ?
S8 Na6 S4 127.8(2) . 5_666 ?
S9 Na6 S8 165.6(3) . 2_656 ?
S5 Na6 S8 92.24(15) 8_556 2_656 ?
S8 Na6 S8 89.96(15) . 2_656 ?
S4 Na6 S8 85.37(16) 5_666 2_656 ?
S9 Na6 Na7 128.9(3) . 2_656 ?
S5 Na6 Na7 94.1(3) 8_556 2_656 ?
S8 Na6 Na7 63.1(2) . 2_656 ?
S4 Na6 Na7 139.8(3) 5_666 2_656 ?
S8 Na6 Na7 54.7(2) 2_656 2_656 ?
S9 Na6 Na3 131.4(2) . 2_656 ?
S5 Na6 Na3 52.00(10) 8_556 2_656 ?
S8 Na6 Na3 143.62(18) . 2_656 ?
S4 Na6 Na3 50.86(11) 5_666 2_656 ?
S8 Na6 Na3 54.45(10) 2_656 2_656 ?
Na7 Na6 Na3 96.0(2) 2_656 2_656 ?
S9 Na6 Na6 113.8(2) . 2_656 ?
S5 Na6 Na6 140.5(2) 8_556 2_656 ?
S8 Na6 Na6 58.30(14) . 2_656 ?
S4 Na6 Na6 79.19(13) 5_666 2_656 ?
S8 Na6 Na6 51.82(15) 2_656 2_656 ?
Na7 Na6 Na6 78.6(3) 2_656 2_656 ?
Na3 Na6 Na6 89.79(19) 2_656 2_656 ?
S9 Na6 Na5 53.36(12) . 8_556 ?
S5 Na6 Na5 57.96(14) 8_556 8_556 ?
S8 Na6 Na5 134.57(18) . 8_556 ?
S4 Na6 Na5 57.65(15) 5_666 8_556 ?
S8 Na6 Na5 133.09(19) 2_656 8_556 ?
Na7 Na6 Na5 148.2(4) 2_656 8_556 ?
Na3 Na6 Na5 78.98(14) 2_656 8_556 ?
Na6 Na6 Na5 132.17(16) 2_656 8_556 ?
Na7 Na7 S2 85.4(3) 2_656 6_556 ?
Na7 Na7 S6 133.1(7) 2_656 . ?
S2 Na7 S6 100.6(3) 6_556 . ?
Na7 Na7 S8 74.8(5) 2_656 . ?
S2 Na7 S8 156.5(7) 6_556 . ?
S6 Na7 S8 84.5(2) . . ?
Na7 Na7 S1 140.6(6) 2_656 7_556 ?
S2 Na7 S1 81.5(3) 6_556 7_556 ?
S6 Na7 S1 85.9(4) . 7_556 ?
S8 Na7 S1 121.9(5) . 7_556 ?
Na7 Na7 Na6 99.3(3) 2_656 2_656 ?
S2 Na7 Na6 135.6(4) 6_556 2_656 ?
S6 Na7 Na6 107.3(4) . 2_656 ?
S8 Na7 Na6 61.8(2) . 2_656 ?
S1 Na7 Na6 67.0(3) 7_556 2_656 ?
Na7 Na7 S8 61.3(3) 2_656 2_656 ?
S2 Na7 S8 92.7(2) 6_556 2_656 ?
S6 Na7 S8 160.8(6) . 2_656 ?
S8 Na7 S8 88.8(3) . 2_656 ?
S1 Na7 S8 82.4(3) 7_556 2_656 ?
Na6 Na7 S8 54.0(2) 2_656 2_656 ?
Na7 Na7 Na2 93.7(5) 2_656 2_656 ?
S2 Na7 Na2 52.06(17) 6_556 2_656 ?
S6 Na7 Na2 126.6(5) . 2_656 ?
S8 Na7 Na2 140.2(4) . 2_656 ?
S1 Na7 Na2 49.6(2) 7_556 2_656 ?
Na6 Na7 Na2 83.5(3) 2_656 2_656 ?
S8 Na7 Na2 53.40(16) 2_656 2_656 ?
Na7 Na7 In1 102.7(6) 2_656 . ?
S2 Na7 In1 134.8(4) 6_556 . ?
S6 Na7 In1 42.67(12) . . ?
S8 Na7 In1 42.43(12) . . ?
S1 Na7 In1 112.8(4) 7_556 . ?
Na6 Na7 In1 87.5(3) 2_656 . ?
S8 Na7 In1 130.4(3) 2_656 . ?
Na2 Na7 In1 162.4(5) 2_656 . ?
Na7 Na7 Na5 139.8(2) 2_656 6_556 ?
S2 Na7 Na5 58.2(2) 6_556 6_556 ?
S6 Na7 Na5 50.6(2) . 6_556 ?
S8 Na7 Na5 134.4(3) . 6_556 ?
S1 Na7 Na5 56.1(2) 7_556 6_556 ?
Na6 Na7 Na5 118.2(5) 2_656 6_556 ?
S8 Na7 Na5 130.3(4) 2_656 6_556 ?
Na2 Na7 Na5 77.8(3) 2_656 6_556 ?
In1 Na7 Na5 93.3(2) . 6_556 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        24.99
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.332
_refine_diff_density_min         -1.236
_refine_diff_density_rms         0.180
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_12
_database_code_depnum_ccdc_archive 'CCDC 1820055'
_audit_update_record             
;
2018-01-29 deposited with the CCDC.
2018-04-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'In2 Na6 Se9 Zn3'
_chemical_formula_weight         1274.33

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/c  '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   17.084(3)
_cell_length_b                   17.078(3)
_cell_length_c                   13.994(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.322(2)
_cell_angle_gamma                90.00
_cell_volume                     4003.6(13)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1804
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      27.23

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.178
_exptl_crystal_size_mid          0.105
_exptl_crystal_size_min          0.094
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.228
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             4480
_exptl_absorpt_coefficient_mu    22.285
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5824
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADBAS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10104
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0389
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.10
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3530
_reflns_number_gt                2281
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0390P)²+46.8636P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.000111(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3530
_refine_ls_number_parameters     186
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0381
_refine_ls_wR_factor_ref         0.1072
_refine_ls_wR_factor_gt          0.0976
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
In1 In 0.37204(5) 0.12775(4) 0.45878(5) 0.0167(2) Uani 0.75 1 d P . .
Zn1 Zn 0.37204(5) 0.12775(4) 0.45878(5) 0.0167(2) Uani 0.25 1 d P . .
In2 In 0.53465(6) 0.29146(6) 0.45744(7) 0.0153(2) Uani 0.20 1 d P . .
Zn2 Zn 0.53465(6) 0.29146(6) 0.45744(7) 0.0153(2) Uani 0.80 1 d P . .
In3 In 0.33418(6) 0.29162(6) 0.25026(7) 0.0157(3) Uani 0.10 1 d P . .
Zn3 Zn 0.33418(6) 0.29162(6) 0.25026(7) 0.0157(3) Uani 0.90 1 d P . .
In4 In 0.5000 0.12635(8) 0.2500 0.0213(4) Uani 0.20 2 d SP . .
Zn4 Zn 0.5000 0.12635(8) 0.2500 0.0213(4) Uani 0.80 2 d SP . .
In5 In 0.30122(5) 0.45561(4) 0.05101(5) 0.0159(2) Uani 0.75 1 d P . .
Zn5 Zn 0.30122(5) 0.45561(4) 0.05101(5) 0.0159(2) Uani 0.25 1 d P . .
In6 In 0.5000 0.45823(8) 0.2500 0.0181(3) Uani 0.20 2 d SP . .
Zn6 Zn 0.5000 0.45823(8) 0.2500 0.0181(3) Uani 0.80 2 d SP . .
Se1 Se 0.22648(6) 0.37152(6) 0.15410(8) 0.0263(3) Uani 1 1 d . . .
Se2 Se 0.43821(7) 0.03768(6) 0.35298(8) 0.0255(3) Uani 1 1 d . . .
Se3 Se 0.43107(6) 0.37768(6) 0.35756(7) 0.0221(3) Uani 1 1 d . . .
Se4 Se 0.40209(7) 0.54790(6) 0.15245(8) 0.0266(3) Uani 1 1 d . . .
Se5 Se 0.26452(6) 0.21079(6) 0.35370(8) 0.0256(3) Uani 1 1 d . . .
Se6 Se 0.30201(7) 0.03996(6) 0.56660(7) 0.0239(3) Uani 1 1 d . . .
Se7 Se 0.60478(6) 0.20402(6) 0.35722(7) 0.0217(3) Uani 1 1 d . . .
Se8 Se 0.47298(6) 0.21096(6) 0.57835(7) 0.0254(3) Uani 1 1 d . . .
Se9 Se 0.63541(7) 0.37406(6) 0.56733(8) 0.0269(3) Uani 1 1 d . . .
Na1 Na 0.7500 0.2500 0.5000 0.0372(16) Uani 1 2 d S . .
Na2 Na 0.5842(3) 0.0823(3) 0.5029(3) 0.0379(11) Uani 1 1 d . . .
Na3 Na 0.3311(3) 0.3345(3) 0.5011(3) 0.0405(12) Uani 1 1 d . . .
Na4 Na 0.5000 0.5000 0.5000 0.0376(16) Uani 1 2 d S . .
Na5 Na 0.2523(4) 0.0460(4) 0.2335(4) 0.087(2) Uani 1 1 d . . .
Na6 Na 0.5981(10) 0.2898(10) 0.7382(7) 0.250(9) Uani 1 1 d . . .
Na7 Na 0.4211(15) 0.1086(13) 0.7353(10) 0.398(17) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
In1 Se5 2.5469(14) . ?
In1 Se2 2.5483(13) . ?
In1 Se8 2.5806(13) . ?
In1 Se6 2.5817(13) . ?
In1 Na3 3.679(5) 7_556 ?
In1 Na2 3.683(4) 5_656 ?
In2 Se9 2.5057(15) . ?
In2 Se3 2.5064(15) . ?
In2 Se7 2.5085(14) . ?
In2 Se8 2.5619(14) . ?
In3 Se1 2.4670(15) . ?
In3 Se5 2.4686(15) . ?
In3 Se3 2.4857(15) . ?
In3 Se7 2.4908(14) 2_655 ?
In3 Na1 3.5862(12) 2_655 ?
In4 Se2 2.4660(14) 2_655 ?
In4 Se2 2.4660(14) . ?
In4 Se7 2.4821(13) . ?
In4 Se7 2.4821(13) 2_655 ?
In4 Na2 3.627(4) 2_655 ?
In5 Se1 2.5489(13) . ?
In5 Se4 2.5512(14) . ?
In5 Se9 2.5609(13) 2_655 ?
In5 Se6 2.5991(13) 4 ?
In5 Na1 3.6552(10) 2_655 ?
In5 Na5 3.659(7) 4 ?
In5 Na4 3.6836(10) 2_655 ?
In5 Na2 3.694(5) 8_455 ?
In5 Na3 3.707(4) 6_565 ?
In6 Se4 2.4719(14) 2_655 ?
In6 Se4 2.4719(14) . ?
In6 Se3 2.4982(13) 2_655 ?
In6 Se3 2.4982(13) . ?
In6 Na4 3.5704(7) 2_655 ?
Se1 Na2 2.999(5) 8_455 ?
Se1 Na1 3.0755(12) 2_655 ?
Se1 Na7 3.22(3) 7_556 ?
Se1 Na5 3.355(7) 4 ?
Se2 Na2 2.953(4) 5_656 ?
Se2 Na7 2.975(18) 6 ?
Se2 Na2 3.024(5) . ?
Se2 Na5 3.289(7) . ?
Se3 Na4 2.9668(11) . ?
Se3 Na3 2.974(4) . ?
Se4 Na3 2.997(5) 6_565 ?
Se4 Na4 3.0692(12) 2_655 ?
Se4 Na6 3.167(16) 5_666 ?
Se4 Na5 3.340(7) 4 ?
Se5 Na3 2.949(4) 7_556 ?
Se5 Na6 2.982(15) 8_455 ?
Se5 Na3 3.015(5) . ?
Se5 Na5 3.264(7) . ?
Se6 Zn5 2.5991(13) 4_545 ?
Se6 In5 2.5991(13) 4_545 ?
Se6 Na5 3.018(6) 6_556 ?
Se6 Na7 3.034(14) . ?
Se6 Na3 3.134(5) 7_556 ?
Se6 Na2 3.136(5) 5_656 ?
Se7 Zn3 2.4908(14) 2_655 ?
Se7 In3 2.4908(14) 2_655 ?
Se7 Na1 2.9695(11) . ?
Se7 Na2 2.979(4) . ?
Se8 Na7 3.071(15) . ?
Se8 Na6 3.083(11) . ?
Se8 Na2 3.215(5) . ?
Se8 Na3 3.235(5) . ?
Se8 Na6 3.332(11) 2_656 ?
Se8 Na7 3.358(15) 2_656 ?
Se9 Zn5 2.5609(13) 2_655 ?
Se9 In5 2.5609(13) 2_655 ?
Se9 Na6 2.966(11) . ?
Se9 Na5 3.073(6) 8_556 ?
Se9 Na1 3.1519(12) . ?
Se9 Na4 3.1638(12) . ?
Na1 Se7 2.9695(11) 7_656 ?
Na1 Se1 3.0755(12) 8_556 ?
Na1 Se1 3.0755(12) 2_655 ?
Na1 Se9 3.1519(12) 7_656 ?
Na1 Zn3 3.5862(12) 2_655 ?
Na1 In3 3.5862(12) 2_655 ?
Na1 Zn3 3.5862(12) 8_556 ?
Na1 In3 3.5862(12) 8_556 ?
Na1 Zn5 3.6552(10) 8_556 ?
Na1 In5 3.6552(10) 8_556 ?
Na2 Se2 2.953(4) 5_656 ?
Na2 Se1 2.999(5) 8_556 ?
Na2 Se6 3.136(5) 5_656 ?
Na2 Zn1 3.683(4) 5_656 ?
Na2 In1 3.683(4) 5_656 ?
Na2 In5 3.694(5) 8_556 ?
Na2 Na7 3.710(15) 2_656 ?
Na2 Na2 4.012(9) 5_656 ?
Na3 Se5 2.949(4) 7_556 ?
Na3 Se4 2.997(5) 6_566 ?
Na3 Se6 3.134(5) 7_556 ?
Na3 Zn1 3.679(5) 7_556 ?
Na3 In1 3.679(5) 7_556 ?
Na3 Na6 3.691(11) 2_656 ?
Na3 In5 3.707(4) 6_566 ?
Na3 Na3 3.996(9) 7_556 ?
Na4 Se3 2.9668(11) 5_666 ?
Na4 Se4 3.0692(12) 6_566 ?
Na4 Se4 3.0692(12) 2_655 ?
Na4 Se9 3.1638(12) 5_666 ?
Na4 Zn6 3.5704(7) 5_666 ?
Na4 In6 3.5704(7) 5_666 ?
Na4 In2 3.6780(12) 5_666 ?
Na4 Zn2 3.6780(12) 5_666 ?
Na4 Zn5 3.6836(10) 6_566 ?
Na4 In5 3.6836(10) 6_566 ?
Na5 Se6 3.018(6) 6 ?
Na5 Se9 3.073(6) 8_455 ?
Na5 Se4 3.340(7) 4_545 ?
Na5 Se1 3.355(7) 4_545 ?
Na5 In5 3.659(7) 4_545 ?
Na5 Zn5 3.659(7) 4_545 ?
Na5 Na6 3.858(13) 8_455 ?
Na5 Na7 3.906(18) 6 ?
Na6 Se5 2.982(15) 8_556 ?
Na6 Na7 3.14(3) 2_656 ?
Na6 Se4 3.167(16) 5_666 ?
Na6 Se8 3.332(11) 2_656 ?
Na6 Na6 3.43(3) 2_656 ?
Na6 Na3 3.691(11) 2_656 ?
Na6 Na5 3.858(13) 8_556 ?
Na7 Na7 2.65(5) 2_656 ?
Na7 Se2 2.975(18) 6_556 ?
Na7 Na6 3.14(3) 2_656 ?
Na7 Se1 3.22(3) 7_556 ?
Na7 Se8 3.358(15) 2_656 ?
Na7 Na2 3.710(15) 2_656 ?
Na7 Na5 3.906(18) 6_556 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Se5 In1 Se2 110.65(4) . . ?
Se5 In1 Se8 112.47(5) . . ?
Se2 In1 Se8 113.14(5) . . ?
Se5 In1 Se6 107.24(5) . . ?
Se2 In1 Se6 107.36(4) . . ?
Se8 In1 Se6 105.56(4) . . ?
Se5 In1 Na3 52.81(8) . 7_556 ?
Se2 In1 Na3 137.20(8) . 7_556 ?
Se8 In1 Na3 109.56(8) . 7_556 ?
Se6 In1 Na3 56.88(8) . 7_556 ?
Se5 In1 Na2 136.84(8) . 5_656 ?
Se2 In1 Na2 52.84(8) . 5_656 ?
Se8 In1 Na2 110.56(8) . 5_656 ?
Se6 In1 Na2 56.85(7) . 5_656 ?
Na3 In1 Na2 108.62(10) 7_556 5_656 ?
Se9 In2 Se3 109.65(5) . . ?
Se9 In2 Se7 109.41(5) . . ?
Se3 In2 Se7 113.61(5) . . ?
Se9 In2 Se8 102.64(5) . . ?
Se3 In2 Se8 110.29(5) . . ?
Se7 In2 Se8 110.69(5) . . ?
Se1 In3 Se5 103.61(5) . . ?
Se1 In3 Se3 109.84(6) . . ?
Se5 In3 Se3 108.48(5) . . ?
Se1 In3 Se7 111.02(5) . 2_655 ?
Se5 In3 Se7 108.99(6) . 2_655 ?
Se3 In3 Se7 114.32(5) . 2_655 ?
Se1 In3 Na1 57.57(3) . 2_655 ?
Se5 In3 Na1 108.34(4) . 2_655 ?
Se3 In3 Na1 143.03(4) . 2_655 ?
Se7 In3 Na1 55.00(3) 2_655 2_655 ?
Se2 In4 Se2 104.23(8) 2_655 . ?
Se2 In4 Se7 109.92(4) 2_655 . ?
Se2 In4 Se7 108.40(4) . . ?
Se2 In4 Se7 108.40(4) 2_655 2_655 ?
Se2 In4 Se7 109.92(4) . 2_655 ?
Se7 In4 Se7 115.39(8) . 2_655 ?
Se2 In4 Na2 55.66(7) 2_655 2_655 ?
Se2 In4 Na2 108.04(8) . 2_655 ?
Se7 In4 Na2 143.25(8) . 2_655 ?
Se7 In4 Na2 54.57(7) 2_655 2_655 ?
Se1 In5 Se4 113.07(5) . . ?
Se1 In5 Se9 112.46(5) . 2_655 ?
Se4 In5 Se9 111.76(5) . 2_655 ?
Se1 In5 Se6 108.52(5) . 4 ?
Se4 In5 Se6 108.07(5) . 4 ?
Se9 In5 Se6 102.26(4) 2_655 4 ?
Se1 In5 Na1 56.08(3) . 2_655 ?
Se4 In5 Na1 144.28(4) . 2_655 ?
Se9 In5 Na1 57.77(3) 2_655 2_655 ?
Se6 In5 Na1 107.58(4) 4 2_655 ?
Se1 In5 Na5 62.44(11) . 4 ?
Se4 In5 Na5 62.08(11) . 4 ?
Se9 In5 Na5 165.45(12) 2_655 4 ?
Se6 In5 Na5 92.27(12) 4 4 ?
Na1 In5 Na5 118.49(11) 2_655 4 ?
Se1 In5 Na4 144.00(4) . 2_655 ?
Se4 In5 Na4 55.45(3) . 2_655 ?
Se9 In5 Na4 57.57(3) 2_655 2_655 ?
Se6 In5 Na4 107.46(4) 4 2_655 ?
Na1 In5 Na4 110.755(19) 2_655 2_655 ?
Na5 In5 Na4 117.51(11) 4 2_655 ?
Se1 In5 Na2 53.69(8) . 8_455 ?
Se4 In5 Na2 138.95(7) . 8_455 ?
Se9 In5 Na2 108.87(7) 2_655 8_455 ?
Se6 In5 Na2 56.61(8) 4 8_455 ?
Na1 In5 Na2 66.58(7) 2_655 8_455 ?
Na5 In5 Na2 79.63(13) 4 8_455 ?
Na4 In5 Na2 158.66(7) 2_655 8_455 ?
Se1 In5 Na3 138.96(8) . 6_565 ?
Se4 In5 Na3 53.44(8) . 6_565 ?
Se9 In5 Na3 108.23(7) 2_655 6_565 ?
Se6 In5 Na3 56.36(8) 4 6_565 ?
Na1 In5 Na3 158.26(8) 2_655 6_565 ?
Na5 In5 Na3 79.23(13) 4 6_565 ?
Na4 In5 Na3 66.31(7) 2_655 6_565 ?
Na2 In5 Na3 107.80(10) 8_455 6_565 ?
Se4 In6 Se4 103.43(7) 2_655 . ?
Se4 In6 Se3 109.02(4) 2_655 2_655 ?
Se4 In6 Se3 110.88(4) . 2_655 ?
Se4 In6 Se3 110.88(4) 2_655 . ?
Se4 In6 Se3 109.02(4) . . ?
Se3 In6 Se3 113.18(7) 2_655 . ?
Se4 In6 Na4 106.69(4) 2_655 2_655 ?
Se4 In6 Na4 57.68(3) . 2_655 ?
Se3 In6 Na4 55.18(2) 2_655 2_655 ?
Se3 In6 Na4 142.29(4) . 2_655 ?
In3 Se1 In5 102.56(5) . . ?
In3 Se1 Na2 160.90(10) . 8_455 ?
In5 Se1 Na2 83.07(9) . 8_455 ?
In3 Se1 Na1 79.81(4) . 2_655 ?
In5 Se1 Na1 80.47(4) . 2_655 ?
Na2 Se1 Na1 83.22(8) 8_455 2_655 ?
In3 Se1 Na7 111.5(3) . 7_556 ?
In5 Se1 Na7 137.6(4) . 7_556 ?
Na2 Se1 Na7 73.1(3) 8_455 7_556 ?
Na1 Se1 Na7 129.0(3) 2_655 7_556 ?
In3 Se1 Na5 103.60(13) . 4 ?
In5 Se1 Na5 75.22(11) . 4 ?
Na2 Se1 Na5 95.48(15) 8_455 4 ?
Na1 Se1 Na5 155.63(11) 2_655 4 ?
Na7 Se1 Na5 72.8(3) 7_556 4 ?
In4 Se2 In1 104.98(5) . . ?
In4 Se2 Na2 162.39(10) . 5_656 ?
In1 Se2 Na2 83.71(10) . 5_656 ?
In4 Se2 Na7 101.5(5) . 6 ?
In1 Se2 Na7 145.3(5) . 6 ?
Na2 Se2 Na7 77.5(4) 5_656 6 ?
In4 Se2 Na2 82.02(9) . . ?
In1 Se2 Na2 81.04(9) . . ?
Na2 Se2 Na2 84.32(13) 5_656 . ?
Na7 Se2 Na2 125.0(4) 6 . ?
In4 Se2 Na5 99.10(13) . . ?
In1 Se2 Na5 76.99(11) . . ?
Na2 Se2 Na5 97.78(16) 5_656 . ?
Na7 Se2 Na5 77.0(4) 6 . ?
Na2 Se2 Na5 157.53(14) . . ?
In3 Se3 In6 107.36(5) . . ?
In3 Se3 In2 107.64(5) . . ?
In6 Se3 In2 107.14(5) . . ?
In3 Se3 Na4 162.10(5) . . ?
In6 Se3 Na4 81.09(4) . . ?
In2 Se3 Na4 83.99(4) . . ?
In3 Se3 Na3 81.87(10) . . ?
In6 Se3 Na3 160.88(10) . . ?
In2 Se3 Na3 85.06(10) . . ?
Na4 Se3 Na3 85.75(9) . . ?
In6 Se4 In5 103.56(5) . . ?
In6 Se4 Na3 160.32(10) . 6_565 ?
In5 Se4 Na3 83.42(10) . 6_565 ?
In6 Se4 Na4 79.43(3) . 2_655 ?
In5 Se4 Na4 81.33(4) . 2_655 ?
Na3 Se4 Na4 83.56(9) 6_565 2_655 ?
In6 Se4 Na6 109.9(3) . 5_666 ?
In5 Se4 Na6 138.2(3) . 5_666 ?
Na3 Se4 Na6 73.5(2) 6_565 5_666 ?
Na4 Se4 Na6 128.4(2) 2_655 5_666 ?
In6 Se4 Na5 104.03(13) . 4 ?
In5 Se4 Na5 75.47(11) . 4 ?
Na3 Se4 Na5 95.51(15) 6_565 4 ?
Na4 Se4 Na5 156.73(12) 2_655 4 ?
Na6 Se4 Na5 72.7(3) 5_666 4 ?
In3 Se5 In1 105.89(5) . . ?
In3 Se5 Na3 161.18(10) . 7_556 ?
In1 Se5 Na3 83.72(10) . 7_556 ?
In3 Se5 Na6 101.7(3) . 8_455 ?
In1 Se5 Na6 144.5(3) . 8_455 ?
Na3 Se5 Na6 77.0(3) 7_556 8_455 ?
In3 Se5 Na3 81.31(9) . . ?
In1 Se5 Na3 82.11(10) . . ?
Na3 Se5 Na3 84.13(13) 7_556 . ?
Na6 Se5 Na3 124.4(3) 8_455 . ?
In3 Se5 Na5 99.77(13) . . ?
In1 Se5 Na5 77.48(11) . . ?
Na3 Se5 Na5 98.10(15) 7_556 . ?
Na6 Se5 Na5 76.1(3) 8_455 . ?
Na3 Se5 Na5 159.06(15) . . ?
In1 Se6 Zn5 106.65(4) . 4_545 ?
In1 Se6 In5 106.65(4) . 4_545 ?
Zn5 Se6 In5 0.00(4) 4_545 4_545 ?
In1 Se6 Na5 165.41(13) . 6_556 ?
Zn5 Se6 Na5 87.80(12) 4_545 6_556 ?
In5 Se6 Na5 87.80(12) 4_545 6_556 ?
In1 Se6 Na7 85.0(3) . . ?
Zn5 Se6 Na7 167.2(3) 4_545 . ?
In5 Se6 Na7 167.2(3) 4_545 . ?
Na5 Se6 Na7 80.4(3) 6_556 . ?
In1 Se6 Na3 79.50(9) . 7_556 ?
Zn5 Se6 Na3 79.98(9) 4_545 7_556 ?
In5 Se6 Na3 79.98(9) 4_545 7_556 ?
Na5 Se6 Na3 105.61(18) 6_556 7_556 ?
Na7 Se6 Na3 107.9(5) . 7_556 ?
In1 Se6 Na2 79.57(8) . 5_656 ?
Zn5 Se6 Na2 79.60(9) 4_545 5_656 ?
In5 Se6 Na2 79.60(9) 4_545 5_656 ?
Na5 Se6 Na2 101.65(18) 6_556 5_656 ?
Na7 Se6 Na2 97.9(6) . 5_656 ?
Na3 Se6 Na2 145.03(12) 7_556 5_656 ?
In4 Se7 Zn3 107.08(5) . 2_655 ?
In4 Se7 In3 107.08(5) . 2_655 ?
Zn3 Se7 In3 0.00(5) 2_655 2_655 ?
In4 Se7 In2 106.81(5) . . ?
Zn3 Se7 In2 106.41(5) 2_655 . ?
In3 Se7 In2 106.41(5) 2_655 . ?
In4 Se7 Na1 162.98(5) . . ?
Zn3 Se7 Na1 81.60(4) 2_655 . ?
In3 Se7 Na1 81.60(4) 2_655 . ?
In2 Se7 Na1 83.92(4) . . ?
In4 Se7 Na2 82.69(10) . . ?
Zn3 Se7 Na2 162.12(10) 2_655 . ?
In3 Se7 Na2 162.12(10) 2_655 . ?
In2 Se7 Na2 84.21(10) . . ?
Na1 Se7 Na2 85.39(9) . . ?
In2 Se8 In1 100.16(5) . . ?
In2 Se8 Na7 172.6(5) . . ?
In1 Se8 Na7 84.3(3) . . ?
In2 Se8 Na6 85.9(2) . . ?
In1 Se8 Na6 172.1(3) . . ?
Na7 Se8 Na6 89.2(3) . . ?
In2 Se8 Na2 78.67(8) . . ?
In1 Se8 Na2 76.91(9) . . ?
Na7 Se8 Na2 96.8(5) . . ?
Na6 Se8 Na2 99.6(4) . . ?
In2 Se8 Na3 78.92(8) . . ?
In1 Se8 Na3 77.34(9) . . ?
Na7 Se8 Na3 107.9(5) . . ?
Na6 Se8 Na3 109.0(4) . . ?
Na2 Se8 Na3 142.00(12) . . ?
In2 Se8 Na6 123.5(3) . 2_656 ?
In1 Se8 Na6 115.1(3) . 2_656 ?
Na7 Se8 Na6 58.6(5) . 2_656 ?
Na6 Se8 Na6 64.5(6) . 2_656 ?
Na2 Se8 Na6 149.0(2) . 2_656 ?
Na3 Se8 Na6 68.4(2) . 2_656 ?
In2 Se8 Na7 124.3(5) . 2_656 ?
In1 Se8 Na7 114.0(4) . 2_656 ?
Na7 Se8 Na7 48.3(9) . 2_656 ?
Na6 Se8 Na7 58.2(4) . 2_656 ?
Na2 Se8 Na7 68.7(3) . 2_656 ?
Na3 Se8 Na7 148.5(3) . 2_656 ?
Na6 Se8 Na7 80.5(3) 2_656 2_656 ?
In2 Se9 Zn5 103.65(5) . 2_655 ?
In2 Se9 In5 103.65(5) . 2_655 ?
Zn5 Se9 In5 0.00(4) 2_655 2_655 ?
In2 Se9 Na6 89.5(2) . . ?
Zn5 Se9 Na6 166.0(2) 2_655 . ?
In5 Se9 Na6 166.0(2) 2_655 . ?
In2 Se9 Na5 168.81(12) . 8_556 ?
Zn5 Se9 Na5 87.32(12) 2_655 8_556 ?
In5 Se9 Na5 87.32(12) 2_655 8_556 ?
Na6 Se9 Na5 79.4(2) . 8_556 ?
In2 Se9 Na1 80.23(4) . . ?
Zn5 Se9 Na1 78.81(4) 2_655 . ?
In5 Se9 Na1 78.81(4) 2_655 . ?
Na6 Se9 Na1 99.2(4) . . ?
Na5 Se9 Na1 100.11(16) 8_556 . ?
In2 Se9 Na4 79.97(4) . . ?
Zn5 Se9 Na4 79.34(4) 2_655 . ?
In5 Se9 Na4 79.34(4) 2_655 . ?
Na6 Se9 Na4 108.0(4) . . ?
Na5 Se9 Na4 104.59(16) 8_556 . ?
Na1 Se9 Na4 145.97(4) . . ?
Se7 Na1 Se7 180.0 . 7_656 ?
Se7 Na1 Se1 94.96(3) . 8_556 ?
Se7 Na1 Se1 85.04(3) 7_656 8_556 ?
Se7 Na1 Se1 85.04(3) . 2_655 ?
Se7 Na1 Se1 94.96(3) 7_656 2_655 ?
Se1 Na1 Se1 180.0 8_556 2_655 ?
Se7 Na1 Se9 96.14(3) . 7_656 ?
Se7 Na1 Se9 83.86(3) 7_656 7_656 ?
Se1 Na1 Se9 86.00(3) 8_556 7_656 ?
Se1 Na1 Se9 94.00(3) 2_655 7_656 ?
Se7 Na1 Se9 83.86(3) . . ?
Se7 Na1 Se9 96.14(3) 7_656 . ?
Se1 Na1 Se9 94.00(3) 8_556 . ?
Se1 Na1 Se9 86.00(3) 2_655 . ?
Se9 Na1 Se9 180.00(3) 7_656 . ?
Se7 Na1 Zn3 43.40(3) . 2_655 ?
Se7 Na1 Zn3 136.60(3) 7_656 2_655 ?
Se1 Na1 Zn3 137.38(3) 8_556 2_655 ?
Se1 Na1 Zn3 42.62(3) 2_655 2_655 ?
Se9 Na1 Zn3 89.71(3) 7_656 2_655 ?
Se9 Na1 Zn3 90.29(3) . 2_655 ?
Se7 Na1 In3 43.40(3) . 2_655 ?
Se7 Na1 In3 136.60(3) 7_656 2_655 ?
Se1 Na1 In3 137.38(3) 8_556 2_655 ?
Se1 Na1 In3 42.62(3) 2_655 2_655 ?
Se9 Na1 In3 89.71(3) 7_656 2_655 ?
Se9 Na1 In3 90.29(3) . 2_655 ?
Zn3 Na1 In3 0.00(3) 2_655 2_655 ?
Se7 Na1 Zn3 136.60(3) . 8_556 ?
Se7 Na1 Zn3 43.40(3) 7_656 8_556 ?
Se1 Na1 Zn3 42.62(3) 8_556 8_556 ?
Se1 Na1 Zn3 137.38(3) 2_655 8_556 ?
Se9 Na1 Zn3 90.29(3) 7_656 8_556 ?
Se9 Na1 Zn3 89.71(3) . 8_556 ?
Zn3 Na1 Zn3 180.0 2_655 8_556 ?
In3 Na1 Zn3 180.0 2_655 8_556 ?
Se7 Na1 In3 136.60(3) . 8_556 ?
Se7 Na1 In3 43.40(3) 7_656 8_556 ?
Se1 Na1 In3 42.62(3) 8_556 8_556 ?
Se1 Na1 In3 137.38(3) 2_655 8_556 ?
Se9 Na1 In3 90.29(3) 7_656 8_556 ?
Se9 Na1 In3 89.71(3) . 8_556 ?
Zn3 Na1 In3 180.0 2_655 8_556 ?
In3 Na1 In3 180.0 2_655 8_556 ?
Zn3 Na1 In3 0.00(4) 8_556 8_556 ?
Se7 Na1 Zn5 90.79(2) . 8_556 ?
Se7 Na1 Zn5 89.21(2) 7_656 8_556 ?
Se1 Na1 Zn5 43.45(2) 8_556 8_556 ?
Se1 Na1 Zn5 136.55(2) 2_655 8_556 ?
Se9 Na1 Zn5 43.42(2) 7_656 8_556 ?
Se9 Na1 Zn5 136.58(2) . 8_556 ?
Zn3 Na1 Zn5 114.57(2) 2_655 8_556 ?
In3 Na1 Zn5 114.57(2) 2_655 8_556 ?
Zn3 Na1 Zn5 65.43(2) 8_556 8_556 ?
In3 Na1 Zn5 65.43(2) 8_556 8_556 ?
Se7 Na1 In5 90.79(2) . 8_556 ?
Se7 Na1 In5 89.21(2) 7_656 8_556 ?
Se1 Na1 In5 43.45(2) 8_556 8_556 ?
Se1 Na1 In5 136.55(2) 2_655 8_556 ?
Se9 Na1 In5 43.42(2) 7_656 8_556 ?
Se9 Na1 In5 136.58(2) . 8_556 ?
Zn3 Na1 In5 114.57(2) 2_655 8_556 ?
In3 Na1 In5 114.57(2) 2_655 8_556 ?
Zn3 Na1 In5 65.43(2) 8_556 8_556 ?
In3 Na1 In5 65.43(2) 8_556 8_556 ?
Zn5 Na1 In5 0.00(2) 8_556 8_556 ?
Se2 Na2 Se7 179.34(18) 5_656 . ?
Se2 Na2 Se1 84.03(12) 5_656 8_556 ?
Se7 Na2 Se1 96.38(13) . 8_556 ?
Se2 Na2 Se2 95.68(13) 5_656 . ?
Se7 Na2 Se2 83.89(11) . . ?
Se1 Na2 Se2 178.70(18) 8_556 . ?
Se2 Na2 Se6 85.45(11) 5_656 5_656 ?
Se7 Na2 Se6 95.09(13) . 5_656 ?
Se1 Na2 Se6 85.84(12) 8_556 5_656 ?
Se2 Na2 Se6 95.40(13) . 5_656 ?
Se2 Na2 Se8 94.91(13) 5_656 . ?
Se7 Na2 Se8 84.55(11) . . ?
Se1 Na2 Se8 92.18(12) 8_556 . ?
Se2 Na2 Se8 86.58(12) . . ?
Se6 Na2 Se8 177.95(17) 5_656 . ?
Se2 Na2 Zn1 43.45(6) 5_656 5_656 ?
Se7 Na2 Zn1 136.99(15) . 5_656 ?
Se1 Na2 Zn1 92.28(11) 8_556 5_656 ?
Se2 Na2 Zn1 88.37(11) . 5_656 ?
Se6 Na2 Zn1 43.58(6) 5_656 5_656 ?
Se8 Na2 Zn1 137.21(13) . 5_656 ?
Se2 Na2 In1 43.45(6) 5_656 5_656 ?
Se7 Na2 In1 136.99(15) . 5_656 ?
Se1 Na2 In1 92.28(11) 8_556 5_656 ?
Se2 Na2 In1 88.37(11) . 5_656 ?
Se6 Na2 In1 43.58(6) 5_656 5_656 ?
Se8 Na2 In1 137.21(13) . 5_656 ?
Zn1 Na2 In1 0.000(5) 5_656 5_656 ?
Se2 Na2 In5 90.78(11) 5_656 8_556 ?
Se7 Na2 In5 89.88(11) . 8_556 ?
Se1 Na2 In5 43.24(6) 8_556 8_556 ?
Se2 Na2 In5 138.06(15) . 8_556 ?
Se6 Na2 In5 43.79(6) 5_656 8_556 ?
Se8 Na2 In5 134.16(14) . 8_556 ?
Zn1 Na2 In5 68.56(8) 5_656 8_556 ?
In1 Na2 In5 68.56(8) 5_656 8_556 ?
Se2 Na2 Na7 51.5(4) 5_656 2_656 ?
Se7 Na2 Na7 128.3(4) . 2_656 ?
Se1 Na2 Na7 56.3(4) 8_556 2_656 ?
Se2 Na2 Na7 122.6(4) . 2_656 ?
Se6 Na2 Na7 121.6(3) 5_656 2_656 ?
Se8 Na2 Na7 57.5(3) . 2_656 ?
Zn1 Na2 Na7 91.0(3) 5_656 2_656 ?
In1 Na2 Na7 91.0(3) 5_656 2_656 ?
In5 Na2 Na7 93.4(4) 8_556 2_656 ?
Se2 Na2 Na2 48.59(9) 5_656 5_656 ?
Se7 Na2 Na2 131.0(2) . 5_656 ?
Se1 Na2 Na2 132.61(19) 8_556 5_656 ?
Se2 Na2 Na2 47.09(10) . 5_656 ?
Se6 Na2 Na2 90.72(15) 5_656 5_656 ?
Se8 Na2 Na2 91.04(16) . 5_656 ?
Zn1 Na2 Na2 56.24(10) 5_656 5_656 ?
In1 Na2 Na2 56.24(10) 5_656 5_656 ?
In5 Na2 Na2 124.79(17) 8_556 5_656 ?
Na7 Na2 Na2 87.0(5) 2_656 5_656 ?
Se5 Na3 Se3 178.5(2) 7_556 . ?
Se5 Na3 Se4 83.74(11) 7_556 6_566 ?
Se3 Na3 Se4 95.99(13) . 6_566 ?
Se5 Na3 Se5 95.87(13) 7_556 . ?
Se3 Na3 Se5 84.33(11) . . ?
Se4 Na3 Se5 177.47(19) 6_566 . ?
Se5 Na3 Se6 85.45(12) 7_556 7_556 ?
Se3 Na3 Se6 96.01(13) . 7_556 ?
Se4 Na3 Se6 85.64(11) 6_566 7_556 ?
Se5 Na3 Se6 96.82(14) . 7_556 ?
Se5 Na3 Se8 94.53(13) 7_556 . ?
Se3 Na3 Se8 83.99(12) . . ?
Se4 Na3 Se8 91.61(14) 6_566 . ?
Se5 Na3 Se8 85.93(11) . . ?
Se6 Na3 Se8 177.24(17) 7_556 . ?
Se5 Na3 Zn1 43.48(7) 7_556 7_556 ?
Se3 Na3 Zn1 138.03(16) . 7_556 ?
Se4 Na3 Zn1 92.16(11) 6_566 7_556 ?
Se5 Na3 Zn1 89.25(12) . 7_556 ?
Se6 Na3 Zn1 43.62(7) 7_556 7_556 ?
Se8 Na3 Zn1 136.95(14) . 7_556 ?
Se5 Na3 In1 43.48(7) 7_556 7_556 ?
Se3 Na3 In1 138.03(16) . 7_556 ?
Se4 Na3 In1 92.16(11) 6_566 7_556 ?
Se5 Na3 In1 89.25(12) . 7_556 ?
Se6 Na3 In1 43.62(7) 7_556 7_556 ?
Se8 Na3 In1 136.95(14) . 7_556 ?
Zn1 Na3 In1 0.000(6) 7_556 7_556 ?
Se5 Na3 Na6 51.9(3) 7_556 2_656 ?
Se3 Na3 Na6 126.8(3) . 2_656 ?
Se4 Na3 Na6 55.4(3) 6_566 2_656 ?
Se5 Na3 Na6 122.5(3) . 2_656 ?
Se6 Na3 Na6 121.2(2) 7_556 2_656 ?
Se8 Na3 Na6 57.1(2) . 2_656 ?
Zn1 Na3 Na6 91.2(3) 7_556 2_656 ?
In1 Na3 Na6 91.2(3) 7_556 2_656 ?
Se5 Na3 In5 90.48(11) 7_556 6_566 ?
Se3 Na3 In5 90.33(11) . 6_566 ?
Se4 Na3 In5 43.13(6) 6_566 6_566 ?
Se5 Na3 In5 139.39(17) . 6_566 ?
Se6 Na3 In5 43.67(6) 7_556 6_566 ?
Se8 Na3 In5 133.59(15) . 6_566 ?
Zn1 Na3 In5 68.46(8) 7_556 6_566 ?
In1 Na3 In5 68.46(8) 7_556 6_566 ?
Na6 Na3 In5 92.5(2) 2_656 6_566 ?
Se5 Na3 Na3 48.64(9) 7_556 7_556 ?
Se3 Na3 Na3 131.54(19) . 7_556 ?
Se4 Na3 Na3 132.33(19) 6_566 7_556 ?
Se5 Na3 Na3 47.23(9) . 7_556 ?
Se6 Na3 Na3 91.78(17) 7_556 7_556 ?
Se8 Na3 Na3 90.27(16) . 7_556 ?
Zn1 Na3 Na3 56.95(11) 7_556 7_556 ?
In1 Na3 Na3 56.95(11) 7_556 7_556 ?
Na6 Na3 Na3 87.2(3) 2_656 7_556 ?
In5 Na3 Na3 125.38(18) 6_566 7_556 ?
Se3 Na4 Se3 180.0 . 5_666 ?
Se3 Na4 Se4 94.63(3) . 6_566 ?
Se3 Na4 Se4 85.37(3) 5_666 6_566 ?
Se3 Na4 Se4 85.37(3) . 2_655 ?
Se3 Na4 Se4 94.63(3) 5_666 2_655 ?
Se4 Na4 Se4 180.0 6_566 2_655 ?
Se3 Na4 Se9 83.80(3) . . ?
Se3 Na4 Se9 96.20(3) 5_666 . ?
Se4 Na4 Se9 94.49(3) 6_566 . ?
Se4 Na4 Se9 85.51(3) 2_655 . ?
Se3 Na4 Se9 96.20(3) . 5_666 ?
Se3 Na4 Se9 83.80(3) 5_666 5_666 ?
Se4 Na4 Se9 85.51(3) 6_566 5_666 ?
Se4 Na4 Se9 94.49(3) 2_655 5_666 ?
Se9 Na4 Se9 180.0 . 5_666 ?
Se3 Na4 Zn6 136.27(3) . 5_666 ?
Se3 Na4 Zn6 43.73(3) 5_666 5_666 ?
Se4 Na4 Zn6 42.89(3) 6_566 5_666 ?
Se4 Na4 Zn6 137.11(3) 2_655 5_666 ?
Se9 Na4 Zn6 89.12(3) . 5_666 ?
Se9 Na4 Zn6 90.88(3) 5_666 5_666 ?
Se3 Na4 In6 136.27(3) . 5_666 ?
Se3 Na4 In6 43.73(3) 5_666 5_666 ?
Se4 Na4 In6 42.89(3) 6_566 5_666 ?
Se4 Na4 In6 137.11(3) 2_655 5_666 ?
Se9 Na4 In6 89.12(3) . 5_666 ?
Se9 Na4 In6 90.88(3) 5_666 5_666 ?
Zn6 Na4 In6 0.0 5_666 5_666 ?
Se3 Na4 In2 137.33(3) . 5_666 ?
Se3 Na4 In2 42.67(3) 5_666 5_666 ?
Se4 Na4 In2 91.06(3) 6_566 5_666 ?
Se4 Na4 In2 88.94(3) 2_655 5_666 ?
Se9 Na4 In2 137.87(2) . 5_666 ?
Se9 Na4 In2 42.13(2) 5_666 5_666 ?
Zn6 Na4 In2 67.48(3) 5_666 5_666 ?
In6 Na4 In2 67.48(3) 5_666 5_666 ?
Se3 Na4 Zn2 137.33(3) . 5_666 ?
Se3 Na4 Zn2 42.67(3) 5_666 5_666 ?
Se4 Na4 Zn2 91.06(3) 6_566 5_666 ?
Se4 Na4 Zn2 88.94(3) 2_655 5_666 ?
Se9 Na4 Zn2 137.87(2) . 5_666 ?
Se9 Na4 Zn2 42.13(2) 5_666 5_666 ?
Zn6 Na4 Zn2 67.48(3) 5_666 5_666 ?
In6 Na4 Zn2 67.48(3) 5_666 5_666 ?
In2 Na4 Zn2 0.00(4) 5_666 5_666 ?
Se3 Na4 Zn5 90.90(2) . 6_566 ?
Se3 Na4 Zn5 89.10(2) 5_666 6_566 ?
Se4 Na4 Zn5 43.21(2) 6_566 6_566 ?
Se4 Na4 Zn5 136.79(2) 2_655 6_566 ?
Se9 Na4 Zn5 136.91(2) . 6_566 ?
Se9 Na4 Zn5 43.09(2) 5_666 6_566 ?
Zn6 Na4 Zn5 65.898(12) 5_666 6_566 ?
In6 Na4 Zn5 65.898(12) 5_666 6_566 ?
In2 Na4 Zn5 65.513(19) 5_666 6_566 ?
Zn2 Na4 Zn5 65.513(19) 5_666 6_566 ?
Se3 Na4 In5 90.90(2) . 6_566 ?
Se3 Na4 In5 89.10(2) 5_666 6_566 ?
Se4 Na4 In5 43.21(2) 6_566 6_566 ?
Se4 Na4 In5 136.79(2) 2_655 6_566 ?
Se9 Na4 In5 136.91(2) . 6_566 ?
Se9 Na4 In5 43.09(2) 5_666 6_566 ?
Zn6 Na4 In5 65.898(12) 5_666 6_566 ?
In6 Na4 In5 65.898(12) 5_666 6_566 ?
In2 Na4 In5 65.513(19) 5_666 6_566 ?
Zn2 Na4 In5 65.513(19) 5_666 6_566 ?
Zn5 Na4 In5 0.000(7) 6_566 6_566 ?
Se6 Na5 Se9 82.53(14) 6 8_455 ?
Se6 Na5 Se5 144.9(3) 6 . ?
Se9 Na5 Se5 88.45(18) 8_455 . ?
Se6 Na5 Se2 88.97(17) 6 . ?
Se9 Na5 Se2 145.4(3) 8_455 . ?
Se5 Na5 Se2 79.50(17) . . ?
Se6 Na5 Se4 138.0(3) 6 4_545 ?
Se9 Na5 Se4 84.27(17) 8_455 4_545 ?
Se5 Na5 Se4 73.86(13) . 4_545 ?
Se2 Na5 Se4 122.15(16) . 4_545 ?
Se6 Na5 Se1 84.84(17) 6 4_545 ?
Se9 Na5 Se1 138.1(3) 8_455 4_545 ?
Se5 Na5 Se1 122.29(16) . 4_545 ?
Se2 Na5 Se1 73.68(13) . 4_545 ?
Se4 Na5 Se1 78.91(16) 4_545 4_545 ?
Se6 Na5 In5 125.9(2) 6 4_545 ?
Se9 Na5 In5 125.5(2) 8_455 4_545 ?
Se5 Na5 In5 86.58(13) . 4_545 ?
Se2 Na5 In5 86.32(13) . 4_545 ?
Se4 Na5 In5 42.45(8) 4_545 4_545 ?
Se1 Na5 In5 42.34(8) 4_545 4_545 ?
Se6 Na5 Zn5 125.9(2) 6 4_545 ?
Se9 Na5 Zn5 125.5(2) 8_455 4_545 ?
Se5 Na5 Zn5 86.58(13) . 4_545 ?
Se2 Na5 Zn5 86.32(13) . 4_545 ?
Se4 Na5 Zn5 42.45(8) 4_545 4_545 ?
Se1 Na5 Zn5 42.34(8) 4_545 4_545 ?
In5 Na5 Zn5 0.00(3) 4_545 4_545 ?
Se6 Na5 Na6 131.6(2) 6 8_455 ?
Se9 Na5 Na6 49.07(18) 8_455 8_455 ?
Se5 Na5 Na6 48.6(2) . 8_455 ?
Se2 Na5 Na6 128.1(3) . 8_455 ?
Se4 Na5 Na6 51.6(3) 4_545 8_455 ?
Se1 Na5 Na6 130.5(3) 4_545 8_455 ?
In5 Na5 Na6 90.6(3) 4_545 8_455 ?
Zn5 Na5 Na6 90.6(3) 4_545 8_455 ?
Se6 Na5 Na7 50.0(2) 6 6 ?
Se9 Na5 Na7 132.4(3) 8_455 6 ?
Se5 Na5 Na7 127.4(4) . 6 ?
Se2 Na5 Na7 47.9(3) . 6 ?
Se4 Na5 Na7 130.9(4) 4_545 6 ?
Se1 Na5 Na7 52.1(4) 4_545 6 ?
In5 Na5 Na7 90.8(4) 4_545 6 ?
Zn5 Na5 Na7 90.8(4) 4_545 6 ?
Na6 Na5 Na7 175.7(6) 8_455 6 ?
Se9 Na6 Se5 96.1(4) . 8_556 ?
Se9 Na6 Se8 81.7(3) . . ?
Se5 Na6 Se8 147.5(7) 8_556 . ?
Se9 Na6 Na7 128.1(6) . 2_656 ?
Se5 Na6 Na7 92.5(7) 8_556 2_656 ?
Se8 Na6 Na7 65.3(4) . 2_656 ?
Se9 Na6 Se4 89.2(4) . 5_666 ?
Se5 Na6 Se4 80.3(3) 8_556 5_666 ?
Se8 Na6 Se4 131.8(6) . 5_666 ?
Na7 Na6 Se4 142.7(5) 2_656 5_666 ?
Se9 Na6 Se8 170.4(7) . 2_656 ?
Se5 Na6 Se8 91.9(3) 8_556 2_656 ?
Se8 Na6 Se8 94.4(3) . 2_656 ?
Na7 Na6 Se8 56.6(4) 2_656 2_656 ?
Se4 Na6 Se8 86.9(4) 5_666 2_656 ?
Se9 Na6 Na6 116.5(5) . 2_656 ?
Se5 Na6 Na6 142.5(5) 8_556 2_656 ?
Se8 Na6 Na6 61.2(4) . 2_656 ?
Na7 Na6 Na6 82.1(6) 2_656 2_656 ?
Se4 Na6 Na6 82.0(3) 5_666 2_656 ?
Se8 Na6 Na6 54.2(4) 2_656 2_656 ?
Se9 Na6 Na3 128.0(4) . 2_656 ?
Se5 Na6 Na3 51.11(17) 8_556 2_656 ?
Se8 Na6 Na3 148.6(4) . 2_656 ?
Na7 Na6 Na3 96.2(4) 2_656 2_656 ?
Se4 Na6 Na3 51.14(19) 5_666 2_656 ?
Se8 Na6 Na3 54.57(18) 2_656 2_656 ?
Na6 Na6 Na3 92.4(4) 2_656 2_656 ?
Se9 Na6 Na5 51.52(19) . 8_556 ?
Se5 Na6 Na5 55.2(2) 8_556 8_556 ?
Se8 Na6 Na5 133.1(3) . 8_556 ?
Na7 Na6 Na5 143.7(8) 2_656 8_556 ?
Se4 Na6 Na5 55.7(2) 5_666 8_556 ?
Se8 Na6 Na5 131.3(3) 2_656 8_556 ?
Na6 Na6 Na5 133.2(3) 2_656 8_556 ?
Na3 Na6 Na5 76.9(2) 2_656 8_556 ?
Na7 Na7 Se2 85.9(4) 2_656 6_556 ?
Na7 Na7 Se6 128.9(10) 2_656 . ?
Se2 Na7 Se6 94.8(5) 6_556 . ?
Na7 Na7 Se8 71.5(8) 2_656 . ?
Se2 Na7 Se8 149.7(11) 6_556 . ?
Se6 Na7 Se8 84.7(3) . . ?
Na7 Na7 Na6 96.2(6) 2_656 2_656 ?
Se2 Na7 Na6 139.7(7) 6_556 2_656 ?
Se6 Na7 Na6 113.8(8) . 2_656 ?
Se8 Na7 Na6 64.9(4) . 2_656 ?
Na7 Na7 Se1 142.6(8) 2_656 7_556 ?
Se2 Na7 Se1 79.9(4) 6_556 7_556 ?
Se6 Na7 Se1 86.9(6) . 7_556 ?
Se8 Na7 Se1 130.2(9) . 7_556 ?
Na6 Na7 Se1 74.3(8) 2_656 7_556 ?
Na7 Na7 Se8 60.1(4) 2_656 2_656 ?
Se2 Na7 Se8 91.6(4) 6_556 2_656 ?
Se6 Na7 Se8 169.2(10) . 2_656 ?
Se8 Na7 Se8 94.1(4) . 2_656 ?
Na6 Na7 Se8 56.5(4) 2_656 2_656 ?
Se1 Na7 Se8 85.7(5) 7_556 2_656 ?
Na7 Na7 Na2 93.9(6) 2_656 2_656 ?
Se2 Na7 Na2 51.0(2) 6_556 2_656 ?
Se6 Na7 Na2 125.4(6) . 2_656 ?
Se8 Na7 Na2 147.3(6) . 2_656 ?
Na6 Na7 Na2 88.8(6) 2_656 2_656 ?
Se1 Na7 Na2 50.7(3) 7_556 2_656 ?
Se8 Na7 Na2 53.8(2) 2_656 2_656 ?
Na7 Na7 Na5 136.8(4) 2_656 6_556 ?
Se2 Na7 Na5 55.1(3) 6_556 6_556 ?
Se6 Na7 Na5 49.6(3) . 6_556 ?
Se8 Na7 Na5 134.1(4) . 6_556 ?
Na6 Na7 Na5 124.9(10) 2_656 6_556 ?
Se1 Na7 Na5 55.1(3) 7_556 6_556 ?
Se8 Na7 Na5 129.9(5) 2_656 6_556 ?
Na2 Na7 Na5 76.3(3) 2_656 6_556 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.254
_refine_diff_density_min         -1.302
_refine_diff_density_rms         0.216
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_e
_database_code_depnum_ccdc_archive 'CCDC 1820053'
_audit_update_record             
;
2018-01-29 deposited with the CCDC.
2018-04-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ga2 Na6 Se9 Zn3'
_chemical_formula_weight         1184.13

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/c  '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   16.706(12)
_cell_length_b                   16.688(12)
_cell_length_c                   13.786(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.346(9)
_cell_angle_gamma                90.00
_cell_volume                     3768(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    729
_cell_measurement_theta_min      2.46
_cell_measurement_theta_max      26.59

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.145
_exptl_crystal_size_min          0.091
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.174
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             4192
_exptl_absorpt_coefficient_mu    24.087
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5425
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11469
_diffrn_reflns_av_R_equivalents  0.0840
_diffrn_reflns_av_sigmaI/netI    0.1120
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.14
_diffrn_reflns_theta_max         27.54
_reflns_number_total             4312
_reflns_number_gt                1875
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0361P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.000028(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4312
_refine_ls_number_parameters     186
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1520
_refine_ls_R_factor_gt           0.0566
_refine_ls_wR_factor_ref         0.1313
_refine_ls_wR_factor_gt          0.1031
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_restrained_S_all      0.935
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.37060(10) 0.12797(11) 0.45571(12) 0.0189(4) Uani 0.40 1 d P . .
Zn1 Zn 0.37060(10) 0.12797(11) 0.45571(12) 0.0189(4) Uani 0.60 1 d P . .
Ga2 Ga 0.53328(9) 0.29086(11) 0.45981(12) 0.0203(4) Uani 0.40 1 d P . .
Zn2 Zn 0.53328(9) 0.29086(11) 0.45981(12) 0.0203(4) Uani 0.60 1 d P . .
Ga3 Ga 0.33608(9) 0.29148(11) 0.25099(12) 0.0149(4) Uani 0.40 1 d P . .
Zn3 Zn 0.33608(9) 0.29148(11) 0.25099(12) 0.0149(4) Uani 0.60 1 d P . .
Ga4 Ga 0.5000 0.12719(15) 0.2500 0.0143(5) Uani 0.40 2 d SP . .
Zn4 Zn 0.5000 0.12719(15) 0.2500 0.0143(5) Uani 0.60 2 d SP . .
Ga5 Ga 0.30188(9) 0.45645(10) 0.05371(11) 0.0165(4) Uani 0.40 1 d P . .
Zn5 Zn 0.30188(9) 0.45645(10) 0.05371(11) 0.0165(4) Uani 0.60 1 d P . .
Ga6 Ga 0.5000 0.45540(15) 0.2500 0.0156(5) Uani 0.40 2 d SP . .
Zn6 Zn 0.5000 0.45540(15) 0.2500 0.0156(5) Uani 0.60 2 d SP . .
Se1 Se 0.23140(8) 0.37395(10) 0.15399(11) 0.0191(4) Uani 1 1 d . . .
Se2 Se 0.43604(9) 0.04174(10) 0.35156(11) 0.0193(4) Uani 1 1 d . . .
Se3 Se 0.43182(8) 0.37657(10) 0.35774(11) 0.0165(3) Uani 1 1 d . . .
Se4 Se 0.40009(9) 0.54350(10) 0.15284(11) 0.0193(4) Uani 1 1 d . . .
Se5 Se 0.26745(8) 0.20939(10) 0.35154(11) 0.0196(4) Uani 1 1 d . . .
Se6 Se 0.29920(9) 0.03865(10) 0.55224(10) 0.0189(4) Uani 1 1 d . . .
Se7 Se 0.60282(9) 0.20532(10) 0.35683(10) 0.0162(3) Uani 1 1 d . . .
Se8 Se 0.46964(9) 0.20814(10) 0.57506(11) 0.0212(4) Uani 1 1 d . . .
Se9 Se 0.63749(9) 0.37708(10) 0.55846(11) 0.0199(4) Uani 1 1 d . . .
Na1 Na 0.7500 0.2500 0.5000 0.028(2) Uani 1 2 d S . .
Na2 Na 0.5827(4) 0.0828(4) 0.5044(4) 0.0277(15) Uani 1 1 d . . .
Na3 Na 0.3310(4) 0.3343(4) 0.5025(4) 0.0275(15) Uani 1 1 d . . .
Na4 Na 0.5000 0.5000 0.5000 0.033(2) Uani 1 2 d S . .
Na5 Na 0.2517(5) 0.0435(6) 0.2308(5) 0.064(2) Uani 1 1 d . . .
Na6 Na 0.6028(8) 0.2962(11) 0.7333(9) 0.186(7) Uani 1 1 d . . .
Na7 Na 0.4087(13) 0.1035(11) 0.7237(10) 0.269(11) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 Se5 2.430(3) . ?
Ga1 Se2 2.438(2) . ?
Ga1 Se6 2.458(2) . ?
Ga1 Se8 2.483(3) . ?
Ga1 Na3 3.582(6) 7_556 ?
Ga2 Se3 2.441(3) . ?
Ga2 Se9 2.454(3) . ?
Ga2 Se7 2.460(2) . ?
Ga2 Se8 2.495(3) . ?
Ga3 Se5 2.395(2) . ?
Ga3 Se3 2.411(3) . ?
Ga3 Se1 2.413(2) . ?
Ga3 Se7 2.432(2) 2_655 ?
Ga3 Na1 3.544(3) 2_655 ?
Ga4 Se2 2.392(2) . ?
Ga4 Se2 2.392(2) 2_655 ?
Ga4 Se7 2.413(2) . ?
Ga4 Se7 2.413(2) 2_655 ?
Ga4 Na2 3.585(6) 2_655 ?
Ga5 Se4 2.406(2) . ?
Ga5 Se9 2.406(2) 2_655 ?
Ga5 Se1 2.415(2) . ?
Ga5 Se6 2.428(2) 4 ?
Ga5 Na5 3.575(8) 4 ?
Ga5 Na1 3.594(3) 2_655 ?
Ga5 Na4 3.605(3) 2_655 ?
Ga5 Na3 3.614(7) 6_565 ?
Ga6 Se4 2.421(2) 2_655 ?
Ga6 Se4 2.421(2) . ?
Ga6 Se3 2.429(2) . ?
Ga6 Se3 2.429(2) 2_655 ?
Ga6 Na4 3.526(3) 2_655 ?
Se1 Na2 2.989(6) 8_455 ?
Se1 Na1 3.023(2) 2_655 ?
Se1 Na7 3.165(19) 7_556 ?
Se1 Na5 3.230(9) 4 ?
Se2 Na2 2.933(6) 5_656 ?
Se2 Na7 2.979(17) 6 ?
Se2 Na2 2.980(6) . ?
Se2 Na5 3.200(8) . ?
Se3 Na4 2.917(2) . ?
Se3 Na3 2.940(6) . ?
Se4 Na3 2.974(6) 6_565 ?
Se4 Na4 3.023(2) 2_655 ?
Se4 Na6 3.107(17) 5_666 ?
Se4 Na5 3.256(8) 4 ?
Se5 Na6 2.910(13) 8_455 ?
Se5 Na3 2.930(6) 7_556 ?
Se5 Na3 2.989(6) . ?
Se5 Na5 3.214(9) . ?
Se6 Zn5 2.428(2) 4_545 ?
Se6 Ga5 2.428(2) 4_545 ?
Se6 Na7 2.900(15) . ?
Se6 Na3 3.025(6) 7_556 ?
Se6 Na2 3.036(6) 5_656 ?
Se6 Na5 3.056(7) 6_556 ?
Se7 Zn3 2.432(2) 2_655 ?
Se7 Ga3 2.432(2) 2_655 ?
Se7 Na1 2.931(2) . ?
Se7 Na2 2.950(6) . ?
Se8 Na7 3.017(13) . ?
Se8 Na2 3.100(6) . ?
Se8 Na3 3.144(6) . ?
Se8 Na6 3.156(12) . ?
Se8 Na6 3.445(12) 2_656 ?
Se9 Zn5 2.406(2) 2_655 ?
Se9 Ga5 2.406(2) 2_655 ?
Se9 Na6 2.918(13) . ?
Se9 Na5 3.043(8) 8_556 ?
Se9 Na1 3.046(2) . ?
Se9 Na4 3.067(2) . ?
Na1 Se7 2.931(2) 7_656 ?
Na1 Se1 3.023(2) 2_655 ?
Na1 Se1 3.023(2) 8_556 ?
Na1 Se9 3.046(2) 7_656 ?
Na1 Zn3 3.544(3) 2_655 ?
Na1 Ga3 3.544(3) 2_655 ?
Na1 Zn3 3.544(3) 8_556 ?
Na1 Ga3 3.544(3) 8_556 ?
Na1 Zn5 3.594(3) 2_655 ?
Na1 Ga5 3.594(3) 2_655 ?
Na2 Se2 2.933(6) 5_656 ?
Na2 Se1 2.989(6) 8_556 ?
Na2 Se6 3.036(6) 5_656 ?
Na2 Zn1 3.622(7) 5_656 ?
Na2 Zn5 3.650(7) 8_556 ?
Na2 Na7 3.739(15) 2_656 ?
Na2 Na2 3.892(12) 5_656 ?
Na3 Se5 2.930(6) 7_556 ?
Na3 Se4 2.974(6) 6_566 ?
Na3 Se6 3.025(6) 7_556 ?
Na3 Zn1 3.582(6) 7_556 ?
Na3 Ga1 3.582(6) 7_556 ?
Na3 Ga5 3.614(7) 6_566 ?
Na3 Zn5 3.614(7) 6_566 ?
Na3 Na6 3.648(14) 2_656 ?
Na3 Na3 3.895(12) 7_556 ?
Na4 Se3 2.917(2) 5_666 ?
Na4 Se4 3.023(2) 2_655 ?
Na4 Se4 3.023(2) 6_566 ?
Na4 Se9 3.067(2) 5_666 ?
Na4 Zn6 3.526(2) 5_666 ?
Na4 Ga6 3.526(2) 5_666 ?
Na4 Ga2 3.594(3) 5_666 ?
Na4 Zn2 3.594(3) 5_666 ?
Na4 Zn5 3.605(3) 6_566 ?
Na4 Ga5 3.605(3) 6_566 ?
Na5 Se9 3.043(8) 8_455 ?
Na5 Se6 3.056(7) 6 ?
Na5 Se1 3.230(9) 4_545 ?
Na5 Se4 3.256(8) 4_545 ?
Na5 Ga5 3.575(8) 4_545 ?
Na5 Zn5 3.575(8) 4_545 ?
Na5 Na7 3.608(17) 6 ?
Na5 Na6 3.657(15) 8_455 ?
Na6 Se5 2.910(13) 8_556 ?
Na6 Se4 3.107(17) 5_666 ?
Na6 Na7 3.28(2) 2_656 ?
Na6 Se8 3.445(12) 2_656 ?
Na6 Na6 3.56(2) 2_656 ?
Na6 Na3 3.648(14) 2_656 ?
Na6 Na5 3.657(15) 8_556 ?
Na7 Se2 2.979(17) 6_556 ?
Na7 Na7 2.99(4) 2_656 ?
Na7 Se1 3.165(19) 7_556 ?
Na7 Na6 3.28(2) 2_656 ?
Na7 Na5 3.608(17) 6_556 ?
Na7 Na2 3.739(15) 2_656 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Se5 Ga1 Se2 109.27(9) . . ?
Se5 Ga1 Se6 107.21(9) . . ?
Se2 Ga1 Se6 106.41(9) . . ?
Se5 Ga1 Se8 113.15(10) . . ?
Se2 Ga1 Se8 113.00(9) . . ?
Se6 Ga1 Se8 107.41(9) . . ?
Se5 Ga1 Na3 54.33(11) . 7_556 ?
Se2 Ga1 Na3 137.98(12) . 7_556 ?
Se6 Ga1 Na3 56.49(11) . 7_556 ?
Se8 Ga1 Na3 108.90(12) . 7_556 ?
Se3 Ga2 Se9 108.20(10) . . ?
Se3 Ga2 Se7 111.13(10) . . ?
Se9 Ga2 Se7 107.22(9) . . ?
Se3 Ga2 Se8 110.90(9) . . ?
Se9 Ga2 Se8 108.44(9) . . ?
Se7 Ga2 Se8 110.81(10) . . ?
Se5 Ga3 Se3 108.62(9) . . ?
Se5 Ga3 Se1 105.65(9) . . ?
Se3 Ga3 Se1 108.89(10) . . ?
Se5 Ga3 Se7 108.77(10) . 2_655 ?
Se3 Ga3 Se7 114.42(9) . 2_655 ?
Se1 Ga3 Se7 110.13(9) . 2_655 ?
Se5 Ga3 Na1 107.74(8) . 2_655 ?
Se3 Ga3 Na1 143.50(7) . 2_655 ?
Se1 Ga3 Na1 57.29(6) . 2_655 ?
Se7 Ga3 Na1 55.00(6) 2_655 2_655 ?
Se2 Ga4 Se2 106.83(13) . 2_655 ?
Se2 Ga4 Se7 108.13(7) . . ?
Se2 Ga4 Se7 109.44(7) 2_655 . ?
Se2 Ga4 Se7 109.44(7) . 2_655 ?
Se2 Ga4 Se7 108.13(7) 2_655 2_655 ?
Se7 Ga4 Se7 114.59(13) . 2_655 ?
Se2 Ga4 Na2 108.60(12) . 2_655 ?
Se2 Ga4 Na2 55.58(11) 2_655 2_655 ?
Se7 Ga4 Na2 143.09(11) . 2_655 ?
Se7 Ga4 Na2 54.81(11) 2_655 2_655 ?
Se4 Ga5 Se9 111.79(9) . 2_655 ?
Se4 Ga5 Se1 111.95(9) . . ?
Se9 Ga5 Se1 111.61(10) 2_655 . ?
Se4 Ga5 Se6 108.45(10) . 4 ?
Se9 Ga5 Se6 104.79(9) 2_655 4 ?
Se1 Ga5 Se6 107.86(9) . 4 ?
Se4 Ga5 Na5 62.42(14) . 4 ?
Se9 Ga5 Na5 164.51(15) 2_655 4 ?
Se1 Ga5 Na5 61.71(15) . 4 ?
Se6 Ga5 Na5 90.69(16) 4 4 ?
Se4 Ga5 Na1 143.68(7) . 2_655 ?
Se9 Ga5 Na1 56.96(6) 2_655 2_655 ?
Se1 Ga5 Na1 56.39(6) . 2_655 ?
Se6 Ga5 Na1 107.85(8) 4 2_655 ?
Na5 Ga5 Na1 118.10(14) 4 2_655 ?
Se4 Ga5 Na4 56.21(6) . 2_655 ?
Se9 Ga5 Na4 57.27(5) 2_655 2_655 ?
Se1 Ga5 Na4 143.43(7) . 2_655 ?
Se6 Ga5 Na4 108.69(8) 4 2_655 ?
Na5 Ga5 Na4 118.61(13) 4 2_655 ?
Na1 Ga5 Na4 110.17(4) 2_655 2_655 ?
Se4 Ga5 Na3 54.87(11) . 6_565 ?
Se9 Ga5 Na3 108.46(11) 2_655 6_565 ?
Se1 Ga5 Na3 139.64(11) . 6_565 ?
Se6 Ga5 Na3 56.03(11) 4 6_565 ?
Na5 Ga5 Na3 80.50(17) 4 6_565 ?
Na1 Ga5 Na3 157.25(11) 2_655 6_565 ?
Na4 Ga5 Na3 66.47(9) 2_655 6_565 ?
Se4 Ga6 Se4 105.22(13) 2_655 . ?
Se4 Ga6 Se3 110.23(7) 2_655 . ?
Se4 Ga6 Se3 108.18(7) . . ?
Se4 Ga6 Se3 108.18(7) 2_655 2_655 ?
Se4 Ga6 Se3 110.23(7) . 2_655 ?
Se3 Ga6 Se3 114.42(13) . 2_655 ?
Se4 Ga6 Na4 106.26(7) 2_655 2_655 ?
Se4 Ga6 Na4 57.56(4) . 2_655 ?
Se3 Ga6 Na4 143.34(6) . 2_655 ?
Se3 Ga6 Na4 55.00(5) 2_655 2_655 ?
Ga3 Se1 Ga5 105.11(9) . . ?
Ga3 Se1 Na2 159.04(14) . 8_455 ?
Ga5 Se1 Na2 84.27(13) . 8_455 ?
Ga3 Se1 Na1 80.53(7) . 2_655 ?
Ga5 Se1 Na1 81.90(8) . 2_655 ?
Na2 Se1 Na1 82.36(13) 8_455 2_655 ?
Ga3 Se1 Na7 107.7(3) . 7_556 ?
Ga5 Se1 Na7 137.1(3) . 7_556 ?
Na2 Se1 Na7 74.8(3) 8_455 7_556 ?
Na1 Se1 Na7 130.1(3) 2_655 7_556 ?
Ga3 Se1 Na5 104.10(16) . 4 ?
Ga5 Se1 Na5 77.10(14) . 4 ?
Na2 Se1 Na5 96.20(19) 8_455 4 ?
Na1 Se1 Na5 158.99(13) 2_655 4 ?
Na7 Se1 Na5 68.7(3) 7_556 4 ?
Ga4 Se2 Ga1 107.25(10) . . ?
Ga4 Se2 Na2 159.68(13) . 5_656 ?
Ga1 Se2 Na2 84.25(14) . 5_656 ?
Ga4 Se2 Na7 100.0(4) . 6 ?
Ga1 Se2 Na7 142.6(4) . 6 ?
Na2 Se2 Na7 78.4(4) 5_656 6 ?
Ga4 Se2 Na2 82.94(13) . . ?
Ga1 Se2 Na2 81.33(14) . . ?
Na2 Se2 Na2 82.33(19) 5_656 . ?
Na7 Se2 Na2 127.9(4) 6 . ?
Ga4 Se2 Na5 100.66(16) . . ?
Ga1 Se2 Na5 78.69(15) . . ?
Na2 Se2 Na5 98.0(2) 5_656 . ?
Na7 Se2 Na5 71.3(4) 6 . ?
Na2 Se2 Na5 159.87(19) . . ?
Ga3 Se3 Ga6 106.28(9) . . ?
Ga3 Se3 Ga2 107.98(10) . . ?
Ga6 Se3 Ga2 108.29(9) . . ?
Ga3 Se3 Na4 161.92(7) . . ?
Ga6 Se3 Na4 81.99(8) . . ?
Ga2 Se3 Na4 83.76(8) . . ?
Ga3 Se3 Na3 82.72(14) . . ?
Ga6 Se3 Na3 160.99(15) . . ?
Ga2 Se3 Na3 83.89(14) . . ?
Na4 Se3 Na3 85.01(13) . . ?
Ga5 Se4 Ga6 105.46(10) . . ?
Ga5 Se4 Na3 83.71(14) . 6_565 ?
Ga6 Se4 Na3 158.87(12) . 6_565 ?
Ga5 Se4 Na4 82.38(7) . 2_655 ?
Ga6 Se4 Na4 79.90(6) . 2_655 ?
Na3 Se4 Na4 82.58(12) 6_565 2_655 ?
Ga5 Se4 Na6 136.9(3) . 5_666 ?
Ga6 Se4 Na6 108.7(3) . 5_666 ?
Na3 Se4 Na6 73.7(3) 6_565 5_666 ?
Na4 Se4 Na6 128.7(2) 2_655 5_666 ?
Ga5 Se4 Na5 76.68(16) . 4 ?
Ga6 Se4 Na5 104.27(16) . 4 ?
Na3 Se4 Na5 96.32(19) 6_565 4 ?
Na4 Se4 Na5 159.02(15) 2_655 4 ?
Na6 Se4 Na5 70.1(3) 5_666 4 ?
Ga3 Se5 Ga1 107.29(9) . . ?
Ga3 Se5 Na6 101.6(3) . 8_455 ?
Ga1 Se5 Na6 142.7(4) . 8_455 ?
Ga3 Se5 Na3 159.52(14) . 7_556 ?
Ga1 Se5 Na3 83.32(14) . 7_556 ?
Na6 Se5 Na3 77.3(3) 8_455 7_556 ?
Ga3 Se5 Na3 81.91(13) . . ?
Ga1 Se5 Na3 82.24(14) . . ?
Na6 Se5 Na3 125.4(3) 8_455 . ?
Na3 Se5 Na3 82.29(18) 7_556 . ?
Ga3 Se5 Na5 101.11(16) . . ?
Ga1 Se5 Na5 78.51(15) . . ?
Na6 Se5 Na5 73.2(3) 8_455 . ?
Na3 Se5 Na5 98.1(2) 7_556 . ?
Na3 Se5 Na5 160.54(19) . . ?
Zn5 Se6 Ga5 0.00(9) 4_545 4_545 ?
Zn5 Se6 Ga1 111.78(9) 4_545 . ?
Ga5 Se6 Ga1 111.78(9) 4_545 . ?
Zn5 Se6 Na7 162.6(3) 4_545 . ?
Ga5 Se6 Na7 162.6(3) 4_545 . ?
Ga1 Se6 Na7 85.4(3) . . ?
Zn5 Se6 Na3 82.24(14) 4_545 7_556 ?
Ga5 Se6 Na3 82.24(14) 4_545 7_556 ?
Ga1 Se6 Na3 80.88(13) . 7_556 ?
Na7 Se6 Na3 104.4(5) . 7_556 ?
Zn5 Se6 Na2 83.02(14) 4_545 5_656 ?
Ga5 Se6 Na2 83.02(14) 4_545 5_656 ?
Ga1 Se6 Na2 81.74(13) . 5_656 ?
Na7 Se6 Na2 97.0(5) . 5_656 ?
Na3 Se6 Na2 151.10(17) 7_556 5_656 ?
Zn5 Se6 Na5 88.34(16) 4_545 6_556 ?
Ga5 Se6 Na5 88.34(16) 4_545 6_556 ?
Ga1 Se6 Na5 159.87(16) . 6_556 ?
Na7 Se6 Na5 74.5(3) . 6_556 ?
Na3 Se6 Na5 103.2(2) 7_556 6_556 ?
Na2 Se6 Na5 101.1(2) 5_656 6_556 ?
Ga4 Se7 Zn3 106.28(9) . 2_655 ?
Ga4 Se7 Ga3 106.28(9) . 2_655 ?
Zn3 Se7 Ga3 0.00(9) 2_655 2_655 ?
Ga4 Se7 Ga2 107.78(9) . . ?
Zn3 Se7 Ga2 108.20(9) 2_655 . ?
Ga3 Se7 Ga2 108.20(9) 2_655 . ?
Ga4 Se7 Na1 161.92(8) . . ?
Zn3 Se7 Na1 82.17(7) 2_655 . ?
Ga3 Se7 Na1 82.17(7) 2_655 . ?
Ga2 Se7 Na1 83.84(8) . . ?
Ga4 Se7 Na2 83.24(14) . . ?
Zn3 Se7 Na2 161.76(14) 2_655 . ?
Ga3 Se7 Na2 161.76(14) 2_655 . ?
Ga2 Se7 Na2 82.72(14) . . ?
Na1 Se7 Na2 84.63(13) . . ?
Ga1 Se8 Ga2 100.84(9) . . ?
Ga1 Se8 Na7 82.4(3) . . ?
Ga2 Se8 Na7 174.6(4) . . ?
Ga1 Se8 Na2 78.23(13) . . ?
Ga2 Se8 Na2 79.11(13) . . ?
Na7 Se8 Na2 97.5(5) . . ?
Ga1 Se8 Na3 78.28(13) . . ?
Ga2 Se8 Na3 78.85(12) . . ?
Na7 Se8 Na3 106.1(5) . . ?
Na2 Se8 Na3 143.90(16) . . ?
Ga1 Se8 Na6 175.1(3) . . ?
Ga2 Se8 Na6 81.5(2) . . ?
Na7 Se8 Na6 94.9(4) . . ?
Na2 Se8 Na6 98.1(3) . . ?
Na3 Se8 Na6 106.4(4) . . ?
Ga1 Se8 Na6 116.7(3) . 2_656 ?
Ga2 Se8 Na6 120.7(3) . 2_656 ?
Na7 Se8 Na6 60.6(5) . 2_656 ?
Na2 Se8 Na6 148.9(2) . 2_656 ?
Na3 Se8 Na6 67.0(2) . 2_656 ?
Na6 Se8 Na6 65.0(5) . 2_656 ?
Zn5 Se9 Ga5 0.00(9) 2_655 2_655 ?
Zn5 Se9 Ga2 108.01(9) 2_655 . ?
Ga5 Se9 Ga2 108.01(9) 2_655 . ?
Zn5 Se9 Na6 164.3(2) 2_655 . ?
Ga5 Se9 Na6 164.3(2) 2_655 . ?
Ga2 Se9 Na6 87.3(3) . . ?
Zn5 Se9 Na5 89.05(15) 2_655 8_556 ?
Ga5 Se9 Na5 89.05(15) 2_655 8_556 ?
Ga2 Se9 Na5 162.92(15) . 8_556 ?
Na6 Se9 Na5 75.7(3) . 8_556 ?
Zn5 Se9 Na1 81.57(7) 2_655 . ?
Ga5 Se9 Na1 81.57(7) 2_655 . ?
Ga2 Se9 Na1 81.52(8) . . ?
Na6 Se9 Na1 97.4(4) . . ?
Na5 Se9 Na1 100.66(18) 8_556 . ?
Zn5 Se9 Na4 81.44(7) 2_655 . ?
Ga5 Se9 Na4 81.44(7) 2_655 . ?
Ga2 Se9 Na4 80.42(8) . . ?
Na6 Se9 Na4 105.5(3) . . ?
Na5 Se9 Na4 103.66(19) 8_556 . ?
Na1 Se9 Na4 149.94(6) . . ?
Se7 Na1 Se7 180.0 . 7_656 ?
Se7 Na1 Se1 83.66(6) . 2_655 ?
Se7 Na1 Se1 96.34(6) 7_656 2_655 ?
Se7 Na1 Se1 96.34(6) . 8_556 ?
Se7 Na1 Se1 83.66(6) 7_656 8_556 ?
Se1 Na1 Se1 180.00(5) 2_655 8_556 ?
Se7 Na1 Se9 82.86(6) . . ?
Se7 Na1 Se9 97.14(6) 7_656 . ?
Se1 Na1 Se9 82.15(6) 2_655 . ?
Se1 Na1 Se9 97.85(6) 8_556 . ?
Se7 Na1 Se9 97.14(6) . 7_656 ?
Se7 Na1 Se9 82.86(6) 7_656 7_656 ?
Se1 Na1 Se9 97.85(6) 2_655 7_656 ?
Se1 Na1 Se9 82.15(6) 8_556 7_656 ?
Se9 Na1 Se9 180.0 . 7_656 ?
Se7 Na1 Zn3 42.83(4) . 2_655 ?
Se7 Na1 Zn3 137.17(4) 7_656 2_655 ?
Se1 Na1 Zn3 42.18(5) 2_655 2_655 ?
Se1 Na1 Zn3 137.82(5) 8_556 2_655 ?
Se9 Na1 Zn3 88.24(5) . 2_655 ?
Se9 Na1 Zn3 91.76(5) 7_656 2_655 ?
Se7 Na1 Ga3 42.83(4) . 2_655 ?
Se7 Na1 Ga3 137.17(4) 7_656 2_655 ?
Se1 Na1 Ga3 42.18(5) 2_655 2_655 ?
Se1 Na1 Ga3 137.82(5) 8_556 2_655 ?
Se9 Na1 Ga3 88.24(5) . 2_655 ?
Se9 Na1 Ga3 91.76(5) 7_656 2_655 ?
Zn3 Na1 Ga3 0.00(5) 2_655 2_655 ?
Se7 Na1 Zn3 137.17(4) . 8_556 ?
Se7 Na1 Zn3 42.83(4) 7_656 8_556 ?
Se1 Na1 Zn3 137.82(5) 2_655 8_556 ?
Se1 Na1 Zn3 42.18(5) 8_556 8_556 ?
Se9 Na1 Zn3 91.76(5) . 8_556 ?
Se9 Na1 Zn3 88.24(5) 7_656 8_556 ?
Zn3 Na1 Zn3 180.000(1) 2_655 8_556 ?
Ga3 Na1 Zn3 180.000(1) 2_655 8_556 ?
Se7 Na1 Ga3 137.17(4) . 8_556 ?
Se7 Na1 Ga3 42.83(4) 7_656 8_556 ?
Se1 Na1 Ga3 137.82(5) 2_655 8_556 ?
Se1 Na1 Ga3 42.18(5) 8_556 8_556 ?
Se9 Na1 Ga3 91.76(5) . 8_556 ?
Se9 Na1 Ga3 88.24(5) 7_656 8_556 ?
Zn3 Na1 Ga3 180.000(1) 2_655 8_556 ?
Ga3 Na1 Ga3 180.000(1) 2_655 8_556 ?
Zn3 Na1 Ga3 0.00(6) 8_556 8_556 ?
Se7 Na1 Zn5 88.21(5) . 2_655 ?
Se7 Na1 Zn5 91.79(5) 7_656 2_655 ?
Se1 Na1 Zn5 41.71(4) 2_655 2_655 ?
Se1 Na1 Zn5 138.29(4) 8_556 2_655 ?
Se9 Na1 Zn5 41.47(4) . 2_655 ?
Se9 Na1 Zn5 138.53(4) 7_656 2_655 ?
Zn3 Na1 Zn5 64.95(4) 2_655 2_655 ?
Ga3 Na1 Zn5 64.95(4) 2_655 2_655 ?
Zn3 Na1 Zn5 115.05(4) 8_556 2_655 ?
Ga3 Na1 Zn5 115.05(4) 8_556 2_655 ?
Se7 Na1 Ga5 88.21(5) . 2_655 ?
Se7 Na1 Ga5 91.79(5) 7_656 2_655 ?
Se1 Na1 Ga5 41.71(4) 2_655 2_655 ?
Se1 Na1 Ga5 138.29(4) 8_556 2_655 ?
Se9 Na1 Ga5 41.47(4) . 2_655 ?
Se9 Na1 Ga5 138.53(4) 7_656 2_655 ?
Zn3 Na1 Ga5 64.95(4) 2_655 2_655 ?
Ga3 Na1 Ga5 64.95(4) 2_655 2_655 ?
Zn3 Na1 Ga5 115.05(4) 8_556 2_655 ?
Ga3 Na1 Ga5 115.05(4) 8_556 2_655 ?
Zn5 Na1 Ga5 0.00(8) 2_655 2_655 ?
Se2 Na2 Se7 178.7(2) 5_656 . ?
Se2 Na2 Se2 97.67(19) 5_656 . ?
Se7 Na2 Se2 82.02(16) . . ?
Se2 Na2 Se1 83.62(16) 5_656 8_556 ?
Se7 Na2 Se1 96.67(18) . 8_556 ?
Se2 Na2 Se1 178.6(2) . 8_556 ?
Se2 Na2 Se6 82.09(17) 5_656 5_656 ?
Se7 Na2 Se6 96.72(17) . 5_656 ?
Se2 Na2 Se6 98.63(18) . 5_656 ?
Se1 Na2 Se6 81.05(16) 8_556 5_656 ?
Se2 Na2 Se8 96.48(17) 5_656 . ?
Se7 Na2 Se8 84.74(17) . . ?
Se2 Na2 Se8 84.87(16) . . ?
Se1 Na2 Se8 95.47(18) 8_556 . ?
Se6 Na2 Se8 176.4(2) 5_656 . ?
Se2 Na2 Zn1 42.06(9) 5_656 5_656 ?
Se7 Na2 Zn1 136.67(19) . 5_656 ?
Se2 Na2 Zn1 90.38(16) . 5_656 ?
Se1 Na2 Zn1 90.27(15) 8_556 5_656 ?
Se6 Na2 Zn1 42.19(9) 5_656 5_656 ?
Se8 Na2 Zn1 137.23(19) . 5_656 ?
Se2 Na2 Zn5 89.05(15) 5_656 8_556 ?
Se7 Na2 Zn5 90.36(15) . 8_556 ?
Se2 Na2 Zn5 138.2(2) . 8_556 ?
Se1 Na2 Zn5 41.18(9) 8_556 8_556 ?
Se6 Na2 Zn5 41.32(9) 5_656 8_556 ?
Se8 Na2 Zn5 135.5(2) . 8_556 ?
Zn1 Na2 Zn5 67.60(11) 5_656 8_556 ?
Se2 Na2 Na7 51.3(3) 5_656 2_656 ?
Se7 Na2 Na7 129.8(4) . 2_656 ?
Se2 Na2 Na7 126.5(4) . 2_656 ?
Se1 Na2 Na7 54.8(4) 8_556 2_656 ?
Se6 Na2 Na7 114.9(3) 5_656 2_656 ?
Se8 Na2 Na7 61.9(3) . 2_656 ?
Zn1 Na2 Na7 88.5(3) 5_656 2_656 ?
Zn5 Na2 Na7 89.5(3) 8_556 2_656 ?
Se2 Na2 Na2 49.35(14) 5_656 5_656 ?
Se7 Na2 Na2 130.3(3) . 5_656 ?
Se2 Na2 Na2 48.32(14) . 5_656 ?
Se1 Na2 Na2 133.0(3) 8_556 5_656 ?
Se6 Na2 Na2 90.6(2) 5_656 5_656 ?
Se8 Na2 Na2 91.0(2) . 5_656 ?
Zn1 Na2 Na2 56.33(16) 5_656 5_656 ?
Zn5 Na2 Na2 123.9(3) 8_556 5_656 ?
Na7 Na2 Na2 89.1(4) 2_656 5_656 ?
Se5 Na3 Se3 179.1(3) 7_556 . ?
Se5 Na3 Se4 83.43(16) 7_556 6_566 ?
Se3 Na3 Se4 96.48(18) . 6_566 ?
Se5 Na3 Se5 97.71(18) 7_556 . ?
Se3 Na3 Se5 82.35(16) . . ?
Se4 Na3 Se5 178.0(2) 6_566 . ?
Se5 Na3 Se6 82.68(15) 7_556 7_556 ?
Se3 Na3 Se6 98.17(18) . 7_556 ?
Se4 Na3 Se6 81.65(16) 6_566 7_556 ?
Se5 Na3 Se6 100.10(19) . 7_556 ?
Se5 Na3 Se8 95.34(18) 7_556 . ?
Se3 Na3 Se8 83.80(15) . . ?
Se4 Na3 Se8 94.42(18) 6_566 . ?
Se5 Na3 Se8 83.85(16) . . ?
Se6 Na3 Se8 175.8(2) 7_556 . ?
Se5 Na3 Zn1 42.35(8) 7_556 7_556 ?
Se3 Na3 Zn1 138.5(2) . 7_556 ?
Se4 Na3 Zn1 90.91(15) 6_566 7_556 ?
Se5 Na3 Zn1 91.04(16) . 7_556 ?
Se6 Na3 Zn1 42.64(9) 7_556 7_556 ?
Se8 Na3 Zn1 136.36(19) . 7_556 ?
Se5 Na3 Ga1 42.35(8) 7_556 7_556 ?
Se3 Na3 Ga1 138.5(2) . 7_556 ?
Se4 Na3 Ga1 90.91(15) 6_566 7_556 ?
Se5 Na3 Ga1 91.04(16) . 7_556 ?
Se6 Na3 Ga1 42.64(9) 7_556 7_556 ?
Se8 Na3 Ga1 136.36(19) . 7_556 ?
Zn1 Na3 Ga1 0.000(12) 7_556 7_556 ?
Se5 Na3 Ga5 89.49(15) 7_556 6_566 ?
Se3 Na3 Ga5 91.02(16) . 6_566 ?
Se4 Na3 Ga5 41.42(9) 6_566 6_566 ?
Se5 Na3 Ga5 140.1(2) . 6_566 ?
Se6 Na3 Ga5 41.73(9) 7_556 6_566 ?
Se8 Na3 Ga5 134.75(19) . 6_566 ?
Zn1 Na3 Ga5 68.40(11) 7_556 6_566 ?
Ga1 Na3 Ga5 68.40(11) 7_556 6_566 ?
Se5 Na3 Zn5 89.49(15) 7_556 6_566 ?
Se3 Na3 Zn5 91.02(16) . 6_566 ?
Se4 Na3 Zn5 41.42(9) 6_566 6_566 ?
Se5 Na3 Zn5 140.1(2) . 6_566 ?
Se6 Na3 Zn5 41.73(9) 7_556 6_566 ?
Se8 Na3 Zn5 134.75(19) . 6_566 ?
Zn1 Na3 Zn5 68.40(11) 7_556 6_566 ?
Ga1 Na3 Zn5 68.40(11) 7_556 6_566 ?
Ga5 Na3 Zn5 0.00(6) 6_566 6_566 ?
Se5 Na3 Na6 51.1(2) 7_556 2_656 ?
Se3 Na3 Na6 128.2(3) . 2_656 ?
Se4 Na3 Na6 54.8(3) 6_566 2_656 ?
Se5 Na3 Na6 124.8(3) . 2_656 ?
Se6 Na3 Na6 115.7(3) 7_556 2_656 ?
Se8 Na3 Na6 60.4(2) . 2_656 ?
Zn1 Na3 Na6 88.9(2) 7_556 2_656 ?
Ga1 Na3 Na6 88.9(2) 7_556 2_656 ?
Ga5 Na3 Na6 90.0(3) 6_566 2_656 ?
Zn5 Na3 Na6 90.0(3) 6_566 2_656 ?
Se5 Na3 Na3 49.51(13) 7_556 7_556 ?
Se3 Na3 Na3 130.5(3) . 7_556 ?
Se4 Na3 Na3 132.9(3) 6_566 7_556 ?
Se5 Na3 Na3 48.20(14) . 7_556 ?
Se6 Na3 Na3 92.2(2) 7_556 7_556 ?
Se8 Na3 Na3 89.3(2) . 7_556 ?
Zn1 Na3 Na3 57.18(15) 7_556 7_556 ?
Ga1 Na3 Na3 57.18(15) 7_556 7_556 ?
Ga5 Na3 Na3 125.6(2) 6_566 7_556 ?
Zn5 Na3 Na3 125.6(2) 6_566 7_556 ?
Na6 Na3 Na3 88.0(3) 2_656 7_556 ?
Se3 Na4 Se3 180.00(4) 5_666 . ?
Se3 Na4 Se4 95.91(6) 5_666 2_655 ?
Se3 Na4 Se4 84.09(6) . 2_655 ?
Se3 Na4 Se4 84.09(6) 5_666 6_566 ?
Se3 Na4 Se4 95.91(6) . 6_566 ?
Se4 Na4 Se4 180.0 2_655 6_566 ?
Se3 Na4 Se9 82.97(6) 5_666 5_666 ?
Se3 Na4 Se9 97.03(6) . 5_666 ?
Se4 Na4 Se9 98.27(6) 2_655 5_666 ?
Se4 Na4 Se9 81.73(6) 6_566 5_666 ?
Se3 Na4 Se9 97.03(6) 5_666 . ?
Se3 Na4 Se9 82.97(6) . . ?
Se4 Na4 Se9 81.73(6) 2_655 . ?
Se4 Na4 Se9 98.27(6) 6_566 . ?
Se9 Na4 Se9 180.00(6) 5_666 . ?
Se3 Na4 Zn6 43.01(5) 5_666 5_666 ?
Se3 Na4 Zn6 136.99(5) . 5_666 ?
Se4 Na4 Zn6 137.47(5) 2_655 5_666 ?
Se4 Na4 Zn6 42.53(5) 6_566 5_666 ?
Se9 Na4 Zn6 88.38(4) 5_666 5_666 ?
Se9 Na4 Zn6 91.62(4) . 5_666 ?
Se3 Na4 Ga6 43.01(5) 5_666 5_666 ?
Se3 Na4 Ga6 136.99(5) . 5_666 ?
Se4 Na4 Ga6 137.47(5) 2_655 5_666 ?
Se4 Na4 Ga6 42.53(5) 6_566 5_666 ?
Se9 Na4 Ga6 88.38(4) 5_666 5_666 ?
Se9 Na4 Ga6 91.62(4) . 5_666 ?
Zn6 Na4 Ga6 0.0 5_666 5_666 ?
Se3 Na4 Ga2 42.47(5) 5_666 5_666 ?
Se3 Na4 Ga2 137.53(5) . 5_666 ?
Se4 Na4 Ga2 89.86(5) 2_655 5_666 ?
Se4 Na4 Ga2 90.14(5) 6_566 5_666 ?
Se9 Na4 Ga2 42.31(4) 5_666 5_666 ?
Se9 Na4 Ga2 137.69(4) . 5_666 ?
Zn6 Na4 Ga2 67.33(5) 5_666 5_666 ?
Ga6 Na4 Ga2 67.33(5) 5_666 5_666 ?
Se3 Na4 Zn2 42.47(5) 5_666 5_666 ?
Se3 Na4 Zn2 137.53(5) . 5_666 ?
Se4 Na4 Zn2 89.86(5) 2_655 5_666 ?
Se4 Na4 Zn2 90.14(5) 6_566 5_666 ?
Se9 Na4 Zn2 42.31(4) 5_666 5_666 ?
Se9 Na4 Zn2 137.69(4) . 5_666 ?
Zn6 Na4 Zn2 67.33(5) 5_666 5_666 ?
Ga6 Na4 Zn2 67.33(5) 5_666 5_666 ?
Ga2 Na4 Zn2 0.00(6) 5_666 5_666 ?
Se3 Na4 Zn5 88.42(5) 5_666 6_566 ?
Se3 Na4 Zn5 91.58(5) . 6_566 ?
Se4 Na4 Zn5 138.59(4) 2_655 6_566 ?
Se4 Na4 Zn5 41.41(4) 6_566 6_566 ?
Se9 Na4 Zn5 41.30(5) 5_666 6_566 ?
Se9 Na4 Zn5 138.70(5) . 6_566 ?
Zn6 Na4 Zn5 65.17(3) 5_666 6_566 ?
Ga6 Na4 Zn5 65.17(3) 5_666 6_566 ?
Ga2 Na4 Zn5 66.20(4) 5_666 6_566 ?
Zn2 Na4 Zn5 66.20(4) 5_666 6_566 ?
Se3 Na4 Ga5 88.42(5) 5_666 6_566 ?
Se3 Na4 Ga5 91.58(5) . 6_566 ?
Se4 Na4 Ga5 138.59(4) 2_655 6_566 ?
Se4 Na4 Ga5 41.41(4) 6_566 6_566 ?
Se9 Na4 Ga5 41.30(5) 5_666 6_566 ?
Se9 Na4 Ga5 138.70(5) . 6_566 ?
Zn6 Na4 Ga5 65.17(3) 5_666 6_566 ?
Ga6 Na4 Ga5 65.17(3) 5_666 6_566 ?
Ga2 Na4 Ga5 66.20(4) 5_666 6_566 ?
Zn2 Na4 Ga5 66.20(4) 5_666 6_566 ?
Zn5 Na4 Ga5 0.000(14) 6_566 6_566 ?
Se9 Na5 Se6 77.80(17) 8_455 6 ?
Se9 Na5 Se2 143.3(3) 8_455 . ?
Se6 Na5 Se2 92.2(2) 6 . ?
Se9 Na5 Se5 90.2(2) 8_455 . ?
Se6 Na5 Se5 142.7(3) 6 . ?
Se2 Na5 Se5 76.48(19) . . ?
Se9 Na5 Se1 138.3(3) 8_455 4_545 ?
Se6 Na5 Se1 89.5(2) 6 4_545 ?
Se2 Na5 Se1 75.76(18) . 4_545 ?
Se5 Na5 Se1 120.6(2) . 4_545 ?
Se9 Na5 Se4 87.4(2) 8_455 4_545 ?
Se6 Na5 Se4 138.4(3) 6 4_545 ?
Se2 Na5 Se4 120.5(2) . 4_545 ?
Se5 Na5 Se4 74.77(16) . 4_545 ?
Se1 Na5 Se4 76.05(19) 4_545 4_545 ?
Se9 Na5 Ga5 127.2(2) 8_455 4_545 ?
Se6 Na5 Ga5 129.4(3) 6 4_545 ?
Se2 Na5 Ga5 86.37(17) . 4_545 ?
Se5 Na5 Ga5 85.87(16) . 4_545 ?
Se1 Na5 Ga5 41.19(11) 4_545 4_545 ?
Se4 Na5 Ga5 40.90(10) 4_545 4_545 ?
Se9 Na5 Zn5 127.2(2) 8_455 4_545 ?
Se6 Na5 Zn5 129.4(3) 6 4_545 ?
Se2 Na5 Zn5 86.37(17) . 4_545 ?
Se5 Na5 Zn5 85.87(16) . 4_545 ?
Se1 Na5 Zn5 41.19(11) 4_545 4_545 ?
Se4 Na5 Zn5 40.90(10) 4_545 4_545 ?
Ga5 Na5 Zn5 0.00(7) 4_545 4_545 ?
Se9 Na5 Na7 128.5(3) 8_455 6 ?
Se6 Na5 Na7 50.8(2) 6 6 ?
Se2 Na5 Na7 51.5(3) . 6 ?
Se5 Na5 Na7 127.9(4) . 6 ?
Se1 Na5 Na7 54.8(3) 4_545 6 ?
Se4 Na5 Na7 130.9(4) 4_545 6 ?
Ga5 Na5 Na7 92.8(3) 4_545 6 ?
Zn5 Na5 Na7 92.8(3) 4_545 6 ?
Se9 Na5 Na6 50.6(2) 8_455 8_455 ?
Se6 Na5 Na6 128.4(3) 6 8_455 ?
Se2 Na5 Na6 126.0(4) . 8_455 ?
Se5 Na5 Na6 49.6(3) . 8_455 ?
Se1 Na5 Na6 129.0(3) 4_545 8_455 ?
Se4 Na5 Na6 53.0(3) 4_545 8_455 ?
Ga5 Na5 Na6 90.4(3) 4_545 8_455 ?
Zn5 Na5 Na6 90.4(3) 4_545 8_455 ?
Na7 Na5 Na6 175.8(5) 6 8_455 ?
Se5 Na6 Se9 99.1(3) 8_556 . ?
Se5 Na6 Se4 81.5(3) 8_556 5_666 ?
Se9 Na6 Se4 92.5(5) . 5_666 ?
Se5 Na6 Se8 146.4(7) 8_556 . ?
Se9 Na6 Se8 82.6(3) . . ?
Se4 Na6 Se8 132.2(5) 5_666 . ?
Se5 Na6 Na7 87.1(6) 8_556 2_656 ?
Se9 Na6 Na7 129.1(6) . 2_656 ?
Se4 Na6 Na7 138.1(5) 5_666 2_656 ?
Se8 Na6 Na7 67.0(4) . 2_656 ?
Se5 Na6 Se8 89.6(4) 8_556 2_656 ?
Se9 Na6 Se8 171.0(5) . 2_656 ?
Se4 Na6 Se8 86.4(3) 5_666 2_656 ?
Se8 Na6 Se8 91.4(3) . 2_656 ?
Na7 Na6 Se8 53.2(3) 2_656 2_656 ?
Se5 Na6 Na6 139.3(6) 8_556 2_656 ?
Se9 Na6 Na6 117.4(5) . 2_656 ?
Se4 Na6 Na6 79.8(3) 5_666 2_656 ?
Se8 Na6 Na6 61.4(4) . 2_656 ?
Na7 Na6 Na6 83.3(4) 2_656 2_656 ?
Se8 Na6 Na6 53.6(3) 2_656 2_656 ?
Se5 Na6 Na3 51.6(2) 8_556 2_656 ?
Se9 Na6 Na3 132.3(4) . 2_656 ?
Se4 Na6 Na3 51.5(2) 5_666 2_656 ?
Se8 Na6 Na3 143.6(4) . 2_656 ?
Na7 Na6 Na3 90.4(4) 2_656 2_656 ?
Se8 Na6 Na3 52.5(2) 2_656 2_656 ?
Na6 Na6 Na3 88.9(4) 2_656 2_656 ?
Se5 Na6 Na5 57.3(2) 8_556 8_556 ?
Se9 Na6 Na5 53.7(2) . 8_556 ?
Se4 Na6 Na5 56.9(3) 5_666 8_556 ?
Se8 Na6 Na5 136.3(4) . 8_556 ?
Na7 Na6 Na5 141.5(6) 2_656 8_556 ?
Se8 Na6 Na5 131.4(4) 2_656 8_556 ?
Na6 Na6 Na5 132.6(3) 2_656 8_556 ?
Na3 Na6 Na5 79.0(3) 2_656 8_556 ?
Se6 Na7 Se2 100.2(5) . 6_556 ?
Se6 Na7 Na7 130.3(8) . 2_656 ?
Se2 Na7 Na7 80.0(4) 6_556 2_656 ?
Se6 Na7 Se8 84.6(4) . . ?
Se2 Na7 Se8 147.1(8) 6_556 . ?
Na7 Na7 Se8 72.6(6) 2_656 . ?
Se6 Na7 Se1 93.7(5) . 7_556 ?
Se2 Na7 Se1 79.9(3) 6_556 7_556 ?
Na7 Na7 Se1 134.1(7) 2_656 7_556 ?
Se8 Na7 Se1 132.6(8) . 7_556 ?
Se6 Na7 Na6 117.6(7) . 2_656 ?
Se2 Na7 Na6 134.3(5) 6_556 2_656 ?
Na7 Na7 Na6 92.9(4) 2_656 2_656 ?
Se8 Na7 Na6 66.1(4) . 2_656 ?
Se1 Na7 Na6 73.2(5) 7_556 2_656 ?
Se6 Na7 Na5 54.7(3) . 6_556 ?
Se2 Na7 Na5 57.2(3) 6_556 6_556 ?
Na7 Na7 Na5 134.9(4) 2_656 6_556 ?
Se8 Na7 Na5 139.1(5) . 6_556 ?
Se1 Na7 Na5 56.5(3) 7_556 6_556 ?
Na6 Na7 Na5 126.3(7) 2_656 6_556 ?
Se6 Na7 Na2 132.6(5) . 2_656 ?
Se2 Na7 Na2 50.2(2) 6_556 2_656 ?
Na7 Na7 Na2 85.5(6) 2_656 2_656 ?
Se8 Na7 Na2 141.5(5) . 2_656 ?
Se1 Na7 Na2 50.5(2) 7_556 2_656 ?
Na6 Na7 Na2 84.4(4) 2_656 2_656 ?
Na5 Na7 Na2 78.1(3) 6_556 2_656 ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.54
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.406
_refine_diff_density_min         -1.503
_refine_diff_density_rms         0.323
