# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2019

####################################################################### 
# 
# 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_2332
_database_code_depnum_ccdc_archive 'CCDC 1860462'
_audit_update_record             
;
2018-08-06 deposited with the CCDC.
2019-01-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cd Na6 S10 Sb4'
_chemical_formula_weight         1057.94

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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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                   22.998(15)
_cell_length_b                   5.876(4)
_cell_length_c                   17.748(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 121.983(7)
_cell_angle_gamma                90.00
_cell_volume                     2034(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    637
_cell_measurement_theta_min      3.58
_cell_measurement_theta_max      25.97

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.116
_exptl_crystal_size_mid          0.076
_exptl_crystal_size_min          0.069
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.454
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1912
_exptl_absorpt_coefficient_mu    7.408
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5953
_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            6075
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_sigmaI/netI    0.0585
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.09
_diffrn_reflns_theta_max         27.69
_reflns_number_total             2355
_reflns_number_gt                1404
_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)+(0.0175P)²+64.4428P] 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       0.000158(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         2355
_refine_ls_number_parameters     97
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0932
_refine_ls_R_factor_gt           0.0490
_refine_ls_wR_factor_ref         0.1159
_refine_ls_wR_factor_gt          0.0976
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_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
Na1 Na 0.23223(9) 0.0074(4) 0.66936(13) 0.0251(4) Uani 0.75 1 d P . .
Sb1 Sb 0.23223(9) 0.0074(4) 0.66936(13) 0.0251(4) Uani 0.25 1 d P . .
Na2 Na 0.17871(12) 0.5040(5) 0.47290(17) 0.0466(6) Uani 0.75 1 d P . .
Sb2 Sb 0.17871(12) 0.5040(5) 0.47290(17) 0.0466(6) Uani 0.25 1 d P . .
Sb3 Sb 0.04606(4) -0.02839(12) 0.43153(5) 0.0265(2) Uani 0.75 1 d P . .
Cd1 Cd 0.04606(4) -0.02839(12) 0.43153(5) 0.0265(2) Uani 0.25 1 d P . .
Sb4 Sb 0.35589(3) 0.47849(13) 0.69228(5) 0.0188(2) Uani 0.75 1 d P . .
Cd2 Cd 0.35589(3) 0.47849(13) 0.69228(5) 0.0188(2) Uani 0.25 1 d P . .
S1 S 0.04469(14) -0.4345(4) 0.42622(18) 0.0216(6) Uani 1 1 d . . .
S2 S 0.36253(14) 0.0713(5) 0.70685(19) 0.0254(6) Uani 1 1 d . . .
S3 S 0.32486(13) 0.4979(5) 0.53546(18) 0.0250(6) Uani 1 1 d . . .
S4 S 0.24119(14) 0.5279(5) 0.66081(19) 0.0265(6) Uani 1 1 d . . .
S5 S 0.09039(15) 0.0233(5) 0.58819(19) 0.0290(6) Uani 1 1 d . . .
Na3 Na 0.0000 0.4928(12) 0.2500 0.0262(14) Uani 1 2 d S . .
Na4 Na 0.0884(2) 0.5152(7) 0.6082(3) 0.0222(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
Na1 S2 2.730(4) . ?
Na1 S4 2.742(4) 4_546 ?
Na1 S5 2.783(4) . ?
Na1 S4 2.835(4) 1_545 ?
Na1 S4 3.075(4) . ?
Na1 S3 3.144(4) 7_556 ?
Na1 Na1 3.875(3) 4_556 ?
Na1 Na1 3.875(3) 4_546 ?
Na1 Na4 3.918(5) 4_546 ?
Na1 Na2 4.007(3) 7_556 ?
Na1 Na4 4.083(5) 1_545 ?
Na2 S1 2.759(4) 1_565 ?
Na2 S2 2.840(4) 7_556 ?
Na2 S4 2.851(4) . ?
Na2 S3 2.929(4) . ?
Na2 S3 2.929(5) 7_566 ?
Na2 S3 2.952(5) 7_556 ?
Na2 Cd2 3.847(4) 7_556 ?
Na2 Na3 3.914(3) . ?
Na2 Na4 3.919(5) . ?
Na2 Na1 4.007(3) 7_556 ?
Na2 Na2 4.086(6) 7_566 ?
Na2 Na2 4.153(6) 7_556 ?
Sb3 S1 2.388(3) . ?
Sb3 S5 2.421(3) . ?
Sb3 S3 2.710(3) 7_556 ?
Sb4 S2 2.403(3) . ?
Sb4 S4 2.407(3) . ?
Sb4 S3 2.483(3) . ?
S1 Sb2 2.759(4) 1_545 ?
S1 Na2 2.759(4) 1_545 ?
S1 Na3 2.759(3) 1_545 ?
S1 Na4 2.827(5) 5_556 ?
S1 Na4 2.844(5) 1_545 ?
S2 Sb2 2.840(4) 7_556 ?
S2 Na2 2.840(4) 7_556 ?
S2 Na3 2.856(4) 7_556 ?
S2 Na4 2.869(5) 4_546 ?
S3 Cd1 2.710(3) 7_556 ?
S3 Sb3 2.710(3) 7_556 ?
S3 Sb2 2.929(5) 7_566 ?
S3 Na2 2.929(5) 7_566 ?
S3 Na2 2.952(5) 7_556 ?
S3 Na1 3.144(4) 7_556 ?
S4 Sb1 2.742(4) 4_556 ?
S4 Na1 2.742(4) 4_556 ?
S4 Sb1 2.835(4) 1_565 ?
S4 Na1 2.835(4) 1_565 ?
S4 Na4 3.121(5) . ?
S5 Na4 2.915(5) . ?
S5 Cd1 2.968(4) 5_556 ?
S5 Na4 3.010(5) 1_545 ?
Na3 S1 2.759(3) 1_565 ?
Na3 S1 2.759(3) 2_565 ?
Na3 S2 2.856(4) 8_455 ?
Na3 S2 2.856(4) 7_556 ?
Na3 Na2 3.914(3) 2 ?
Na3 Na4 3.987(4) 6_565 ?
Na3 Na4 3.987(4) 5_566 ?
Na4 S1 2.827(5) 5_556 ?
Na4 S1 2.844(5) 1_565 ?
Na4 S2 2.869(5) 4_556 ?
Na4 S5 3.010(5) 1_565 ?
Na4 Cd1 3.839(4) 1_565 ?
Na4 Na4 3.845(8) 5_566 ?
Na4 Na1 3.918(5) 4_556 ?
Na4 Na3 3.987(4) 5_566 ?
Na4 Na1 4.083(5) 1_565 ?

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
S2 Na1 S4 98.58(10) . 4_546 ?
S2 Na1 S5 162.91(12) . . ?
S4 Na1 S5 94.90(10) 4_546 . ?
S2 Na1 S4 92.77(10) . 1_545 ?
S4 Na1 S4 97.02(11) 4_546 1_545 ?
S5 Na1 S4 95.98(10) . 1_545 ?
S2 Na1 S4 77.38(9) . . ?
S4 Na1 S4 91.65(10) 4_546 . ?
S5 Na1 S4 91.82(9) . . ?
S4 Na1 S4 167.78(12) 1_545 . ?
S2 Na1 S3 90.88(9) . 7_556 ?
S4 Na1 S3 169.98(10) 4_546 7_556 ?
S5 Na1 S3 75.21(9) . 7_556 ?
S4 Na1 S3 85.75(10) 1_545 7_556 ?
S4 Na1 S3 87.17(10) . 7_556 ?
S2 Na1 Na1 86.60(9) . 4_556 ?
S4 Na1 Na1 46.99(9) 4_546 4_556 ?
S5 Na1 Na1 95.03(9) . 4_556 ?
S4 Na1 Na1 143.15(11) 1_545 4_556 ?
S4 Na1 Na1 44.66(6) . 4_556 ?
S3 Na1 Na1 131.08(9) 7_556 4_556 ?
S2 Na1 Na1 98.60(9) . 4_546 ?
S4 Na1 Na1 52.01(9) 4_546 4_546 ?
S5 Na1 Na1 97.98(9) . 4_546 ?
S4 Na1 Na1 45.01(6) 1_545 4_546 ?
S4 Na1 Na1 142.87(10) . 4_546 ?
S3 Na1 Na1 129.95(9) 7_556 4_546 ?
Na1 Na1 Na1 98.62(10) 4_556 4_546 ?
S2 Na1 Na4 47.08(9) . 4_546 ?
S4 Na1 Na4 52.35(9) 4_546 4_546 ?
S5 Na1 Na4 147.23(11) . 4_546 ?
S4 Na1 Na4 89.89(9) 1_545 4_546 ?
S4 Na1 Na4 88.61(9) . 4_546 ?
S3 Na1 Na4 137.50(10) 7_556 4_546 ?
Na1 Na1 Na4 63.20(8) 4_556 4_546 ?
Na1 Na1 Na4 64.34(9) 4_546 4_546 ?
S2 Na1 Na2 45.11(8) . 7_556 ?
S4 Na1 Na2 143.37(9) 4_546 7_556 ?
S5 Na1 Na2 121.64(10) . 7_556 ?
S4 Na1 Na2 82.75(8) 1_545 7_556 ?
S4 Na1 Na2 85.16(8) . 7_556 ?
S3 Na1 Na2 46.44(7) 7_556 7_556 ?
Na1 Na1 Na2 120.00(7) 4_556 7_556 ?
Na1 Na1 Na2 118.33(7) 4_546 7_556 ?
Na4 Na1 Na2 91.06(10) 4_546 7_556 ?
S2 Na1 Na4 142.39(10) . 1_545 ?
S4 Na1 Na4 90.06(9) 4_546 1_545 ?
S5 Na1 Na4 47.49(9) . 1_545 ?
S4 Na1 Na4 49.72(9) 1_545 1_545 ?
S4 Na1 Na4 139.24(9) . 1_545 ?
S3 Na1 Na4 84.39(9) 7_556 1_545 ?
Na1 Na1 Na4 123.90(9) 4_556 1_545 ?
Na1 Na1 Na4 58.91(7) 4_546 1_545 ?
Na4 Na1 Na4 123.24(10) 4_546 1_545 ?
Na2 Na1 Na4 115.65(9) 7_556 1_545 ?
S1 Na2 S2 91.59(11) 1_565 7_556 ?
S1 Na2 S4 97.79(11) 1_565 . ?
S2 Na2 S4 169.40(13) 7_556 . ?
S1 Na2 S3 172.17(15) 1_565 . ?
S2 Na2 S3 93.29(10) 7_556 . ?
S4 Na2 S3 77.94(10) . . ?
S1 Na2 S3 81.79(11) 1_565 7_566 ?
S2 Na2 S3 96.62(11) 7_556 7_566 ?
S4 Na2 S3 89.62(11) . 7_566 ?
S3 Na2 S3 91.56(12) . 7_566 ?
S1 Na2 S3 96.82(11) 1_565 7_556 ?
S2 Na2 S3 78.69(10) 7_556 7_556 ?
S4 Na2 S3 95.23(12) . 7_556 ?
S3 Na2 S3 90.14(12) . 7_556 ?
S3 Na2 S3 175.10(14) 7_566 7_556 ?
S1 Na2 Cd2 96.91(9) 1_565 7_556 ?
S2 Na2 Cd2 38.54(7) 7_556 7_556 ?
S4 Na2 Cd2 134.44(12) . 7_556 ?
S3 Na2 Cd2 90.71(9) . 7_556 ?
S3 Na2 Cd2 135.15(10) 7_566 7_556 ?
S3 Na2 Cd2 40.20(7) 7_556 7_556 ?
S1 Na2 Na3 44.82(8) 1_565 . ?
S2 Na2 Na3 46.77(8) 7_556 . ?
S4 Na2 Na3 142.35(9) . . ?
S3 Na2 Na3 139.71(10) . . ?
S3 Na2 Na3 88.83(12) 7_566 . ?
S3 Na2 Na3 86.90(12) 7_556 . ?
Cd2 Na2 Na3 62.27(10) 7_556 . ?
S1 Na2 Na4 46.51(9) 1_565 . ?
S2 Na2 Na4 136.11(12) 7_556 . ?
S4 Na2 Na4 52.04(10) . . ?
S3 Na2 Na4 129.93(11) . . ?
S3 Na2 Na4 90.26(10) 7_566 . ?
S3 Na2 Na4 92.17(10) 7_556 . ?
Cd2 Na2 Na4 121.09(10) 7_556 . ?
Na3 Na2 Na4 90.35(10) . . ?
S1 Na2 Na1 132.50(11) 1_565 7_556 ?
S2 Na2 Na1 42.92(8) 7_556 7_556 ?
S4 Na2 Na1 128.96(10) . 7_556 ?
S3 Na2 Na1 51.07(8) . 7_556 ?
S3 Na2 Na1 89.70(9) 7_566 7_556 ?
S3 Na2 Na1 87.79(8) 7_556 7_556 ?
Cd2 Na2 Na1 58.39(5) 7_556 7_556 ?
Na3 Na2 Na1 88.65(8) . 7_556 ?
Na4 Na2 Na1 179.00(9) . 7_556 ?
S1 Na2 Na2 127.43(15) 1_565 7_566 ?
S2 Na2 Na2 97.11(11) 7_556 7_566 ?
S4 Na2 Na2 81.11(10) . 7_566 ?
S3 Na2 Na2 45.78(8) . 7_566 ?
S3 Na2 Na2 45.77(9) 7_566 7_566 ?
S3 Na2 Na2 135.74(13) 7_556 7_566 ?
Cd2 Na2 Na2 121.15(9) 7_556 7_566 ?
Na3 Na2 Na2 122.14(13) . 7_566 ?
Na4 Na2 Na2 117.61(12) . 7_566 ?
Na1 Na2 Na2 62.99(7) 7_556 7_566 ?
S1 Na2 Na2 141.53(15) 1_565 7_556 ?
S2 Na2 Na2 84.32(10) 7_556 7_556 ?
S4 Na2 Na2 85.26(10) . 7_556 ?
S3 Na2 Na2 45.30(8) . 7_556 ?
S3 Na2 Na2 136.67(13) 7_566 7_556 ?
S3 Na2 Na2 44.84(8) 7_556 7_556 ?
Cd2 Na2 Na2 57.71(7) 7_556 7_556 ?
Na3 Na2 Na2 119.96(13) . 7_556 ?
Na4 Na2 Na2 118.65(12) . 7_556 ?
Na1 Na2 Na2 61.93(7) 7_556 7_556 ?
Na2 Na2 Na2 90.99(11) 7_566 7_556 ?
S1 Sb3 S5 99.19(10) . . ?
S1 Sb3 S3 93.70(10) . 7_556 ?
S5 Sb3 S3 89.81(9) . 7_556 ?
S2 Sb4 S4 98.30(10) . . ?
S2 Sb4 S3 97.51(11) . . ?
S4 Sb4 S3 96.05(9) . . ?
Sb3 S1 Sb2 97.45(11) . 1_545 ?
Sb3 S1 Na2 97.45(11) . 1_545 ?
Sb2 S1 Na2 0.00(16) 1_545 1_545 ?
Sb3 S1 Na3 100.88(17) . 1_545 ?
Sb2 S1 Na3 90.36(10) 1_545 1_545 ?
Na2 S1 Na3 90.36(10) 1_545 1_545 ?
Sb3 S1 Na4 99.56(12) . 5_556 ?
Sb2 S1 Na4 162.33(15) 1_545 5_556 ?
Na2 S1 Na4 162.33(15) 1_545 5_556 ?
Na3 S1 Na4 91.06(12) 1_545 5_556 ?
Sb3 S1 Na4 93.99(12) . 1_545 ?
Sb2 S1 Na4 88.76(12) 1_545 1_545 ?
Na2 S1 Na4 88.76(12) 1_545 1_545 ?
Na3 S1 Na4 165.09(19) 1_545 1_545 ?
Na4 S1 Na4 85.36(14) 5_556 1_545 ?
Sb4 S2 Na1 96.42(10) . . ?
Sb4 S2 Sb2 94.02(11) . 7_556 ?
Na1 S2 Sb2 91.97(11) . 7_556 ?
Sb4 S2 Na2 94.02(11) . 7_556 ?
Na1 S2 Na2 91.97(11) . 7_556 ?
Sb2 S2 Na2 0.00(13) 7_556 7_556 ?
Sb4 S2 Na3 99.12(17) . 7_556 ?
Na1 S2 Na3 164.46(19) . 7_556 ?
Sb2 S2 Na3 86.81(10) 7_556 7_556 ?
Na2 S2 Na3 86.81(10) 7_556 7_556 ?
Sb4 S2 Na4 101.64(13) . 4_546 ?
Na1 S2 Na4 88.76(12) . 4_546 ?
Sb2 S2 Na4 164.15(15) 7_556 4_546 ?
Na2 S2 Na4 164.15(15) 7_556 4_546 ?
Na3 S2 Na4 88.26(11) 7_556 4_546 ?
Sb4 S3 Cd1 97.42(9) . 7_556 ?
Sb4 S3 Sb3 97.42(9) . 7_556 ?
Cd1 S3 Sb3 0.00(3) 7_556 7_556 ?
Sb4 S3 Na2 90.93(9) . . ?
Cd1 S3 Na2 170.68(13) 7_556 . ?
Sb3 S3 Na2 170.68(13) 7_556 . ?
Sb4 S3 Sb2 94.96(11) . 7_566 ?
Cd1 S3 Sb2 86.73(9) 7_556 7_566 ?
Sb3 S3 Sb2 86.73(9) 7_556 7_566 ?
Na2 S3 Sb2 88.44(12) . 7_566 ?
Sb4 S3 Na2 94.96(11) . 7_566 ?
Cd1 S3 Na2 86.73(9) 7_556 7_566 ?
Sb3 S3 Na2 86.73(9) 7_556 7_566 ?
Na2 S3 Na2 88.44(12) . 7_566 ?
Sb2 S3 Na2 0.00(11) 7_566 7_566 ?
Sb4 S3 Na2 89.67(10) . 7_556 ?
Cd1 S3 Na2 94.30(10) 7_556 7_556 ?
Sb3 S3 Na2 94.30(10) 7_556 7_556 ?
Na2 S3 Na2 89.86(12) . 7_556 ?
Sb2 S3 Na2 175.10(14) 7_566 7_556 ?
Na2 S3 Na2 175.10(14) 7_566 7_556 ?
Sb4 S3 Na1 172.65(12) . 7_556 ?
Cd1 S3 Na1 89.39(8) 7_556 7_556 ?
Sb3 S3 Na1 89.39(8) 7_556 7_556 ?
Na2 S3 Na1 82.49(9) . 7_556 ?
Sb2 S3 Na1 88.17(10) 7_566 7_556 ?
Na2 S3 Na1 88.17(10) 7_566 7_556 ?
Na2 S3 Na1 87.05(10) 7_556 7_556 ?
Sb4 S4 Sb1 99.25(11) . 4_556 ?
Sb4 S4 Na1 99.25(11) . 4_556 ?
Sb1 S4 Na1 0.00(7) 4_556 4_556 ?
Sb4 S4 Sb1 102.07(11) . 1_565 ?
Sb1 S4 Sb1 87.99(10) 4_556 1_565 ?
Na1 S4 Sb1 87.99(10) 4_556 1_565 ?
Sb4 S4 Na1 102.07(11) . 1_565 ?
Sb1 S4 Na1 87.99(10) 4_556 1_565 ?
Na1 S4 Na1 87.99(10) 4_556 1_565 ?
Sb1 S4 Na1 0.00(8) 1_565 1_565 ?
Sb4 S4 Na2 94.41(10) . . ?
Sb1 S4 Na2 164.63(13) 4_556 . ?
Na1 S4 Na2 164.63(13) 4_556 . ?
Sb1 S4 Na2 96.05(12) 1_565 . ?
Na1 S4 Na2 96.05(12) 1_565 . ?
Sb4 S4 Na1 87.85(9) . . ?
Sb1 S4 Na1 83.33(10) 4_556 . ?
Na1 S4 Na1 83.33(10) 4_556 . ?
Sb1 S4 Na1 167.78(12) 1_565 . ?
Na1 S4 Na1 167.78(12) 1_565 . ?
Na2 S4 Na1 90.20(11) . . ?
Sb4 S4 Na4 171.09(15) . . ?
Sb1 S4 Na4 83.58(11) 4_556 . ?
Na1 S4 Na4 83.58(11) 4_556 . ?
Sb1 S4 Na4 86.42(11) 1_565 . ?
Na1 S4 Na4 86.42(11) 1_565 . ?
Na2 S4 Na4 81.89(12) . . ?
Na1 S4 Na4 84.08(11) . . ?
Sb3 S5 Na1 104.80(11) . . ?
Sb3 S5 Na4 103.90(13) . . ?
Na1 S5 Na4 93.43(12) . . ?
Sb3 S5 Cd1 95.16(10) . 5_556 ?
Na1 S5 Cd1 159.64(12) . 5_556 ?
Na4 S5 Cd1 85.46(11) . 5_556 ?
Sb3 S5 Na4 89.28(12) . 1_545 ?
Na1 S5 Na4 89.55(12) . 1_545 ?
Na4 S5 Na4 165.23(19) . 1_545 ?
Cd1 S5 Na4 86.73(11) 5_556 1_545 ?
S1 Na3 S1 162.2(3) 1_565 2_565 ?
S1 Na3 S2 91.10(8) 1_565 8_455 ?
S1 Na3 S2 91.24(8) 2_565 8_455 ?
S1 Na3 S2 91.24(8) 1_565 7_556 ?
S1 Na3 S2 91.10(8) 2_565 7_556 ?
S2 Na3 S2 164.8(3) 8_455 7_556 ?
S1 Na3 Na2 44.81(7) 1_565 . ?
S1 Na3 Na2 134.77(9) 2_565 . ?
S2 Na3 Na2 133.93(8) 8_455 . ?
S2 Na3 Na2 46.43(7) 7_556 . ?
S1 Na3 Na2 134.77(9) 1_565 2 ?
S1 Na3 Na2 44.81(7) 2_565 2 ?
S2 Na3 Na2 46.43(7) 8_455 2 ?
S2 Na3 Na2 133.93(8) 7_556 2 ?
Na2 Na3 Na2 178.1(2) . 2 ?
S1 Na3 Na4 135.15(9) 1_565 6_565 ?
S1 Na3 Na4 45.15(8) 2_565 6_565 ?
S2 Na3 Na4 133.75(9) 8_455 6_565 ?
S2 Na3 Na4 46.00(8) 7_556 6_565 ?
Na2 Na3 Na4 91.40(9) . 6_565 ?
Na2 Na3 Na4 88.62(9) 2 6_565 ?
S1 Na3 Na4 45.15(8) 1_565 5_566 ?
S1 Na3 Na4 135.15(9) 2_565 5_566 ?
S2 Na3 Na4 46.00(8) 8_455 5_566 ?
S2 Na3 Na4 133.75(9) 7_556 5_566 ?
Na2 Na3 Na4 88.62(9) . 5_566 ?
Na2 Na3 Na4 91.40(9) 2 5_566 ?
Na4 Na3 Na4 178.7(2) 6_565 5_566 ?
S1 Na4 S1 94.64(14) 5_556 1_565 ?
S1 Na4 S2 89.47(14) 5_556 4_556 ?
S1 Na4 S2 167.27(17) 1_565 4_556 ?
S1 Na4 S5 83.81(13) 5_556 . ?
S1 Na4 S5 89.06(14) 1_565 . ?
S2 Na4 S5 103.37(15) 4_556 . ?
S1 Na4 S5 102.88(14) 5_556 1_565 ?
S1 Na4 S5 77.37(12) 1_565 1_565 ?
S2 Na4 S5 89.97(14) 4_556 1_565 ?
S5 Na4 S5 165.23(19) . 1_565 ?
S1 Na4 S4 170.81(17) 5_556 . ?
S1 Na4 S4 90.14(13) 1_565 . ?
S2 Na4 S4 87.54(13) 4_556 . ?
S5 Na4 S4 88.43(13) . . ?
S5 Na4 S4 85.81(12) 1_565 . ?
S1 Na4 Cd1 99.39(12) 5_556 1_565 ?
S1 Na4 Cd1 38.36(8) 1_565 1_565 ?
S2 Na4 Cd1 129.05(14) 4_556 1_565 ?
S5 Na4 Cd1 127.36(14) . 1_565 ?
S5 Na4 Cd1 39.09(8) 1_565 1_565 ?
S4 Na4 Cd1 89.22(11) . 1_565 ?
S1 Na4 Na4 47.51(11) 5_556 5_566 ?
S1 Na4 Na4 47.13(11) 1_565 5_566 ?
S2 Na4 Na4 135.63(19) 4_556 5_566 ?
S5 Na4 Na4 84.76(15) . 5_566 ?
S5 Na4 Na4 90.13(15) 1_565 5_566 ?
S4 Na4 Na4 136.69(19) . 5_566 ?
Cd1 Na4 Na4 62.61(11) 1_565 5_566 ?
S1 Na4 Na1 131.10(15) 5_556 4_556 ?
S1 Na4 Na1 134.10(14) 1_565 4_556 ?
S2 Na4 Na1 44.16(9) 4_556 4_556 ?
S5 Na4 Na1 92.02(12) . 4_556 ?
S5 Na4 Na1 93.27(12) 1_565 4_556 ?
S4 Na4 Na1 44.08(8) . 4_556 ?
Cd1 Na4 Na1 120.50(11) 1_565 4_556 ?
Na4 Na4 Na1 176.59(18) 5_566 4_556 ?
S1 Na4 Na2 136.83(15) 5_556 . ?
S1 Na4 Na2 44.73(9) 1_565 . ?
S2 Na4 Na2 133.48(14) 4_556 . ?
S5 Na4 Na2 82.04(12) . . ?
S5 Na4 Na2 84.17(11) 1_565 . ?
S4 Na4 Na2 46.08(9) . . ?
Cd1 Na4 Na2 59.93(8) 1_565 . ?
Na4 Na4 Na2 90.61(15) 5_566 . ?
Na1 Na4 Na2 90.04(11) 4_556 . ?
S1 Na4 Na3 43.79(9) 5_556 5_566 ?
S1 Na4 Na3 136.56(14) 1_565 5_566 ?
S2 Na4 Na3 45.73(9) 4_556 5_566 ?
S5 Na4 Na3 96.38(15) . 5_566 ?
S5 Na4 Na3 97.50(15) 1_565 5_566 ?
S4 Na4 Na3 132.93(14) . 5_566 ?
Cd1 Na4 Na3 122.01(13) 1_565 5_566 ?
Na4 Na4 Na3 90.36(14) 5_566 5_566 ?
Na1 Na4 Na3 88.89(11) 4_556 5_566 ?
Na2 Na4 Na3 178.06(14) . 5_566 ?
S1 Na4 Na1 143.91(14) 5_556 1_565 ?
S1 Na4 Na1 88.73(11) 1_565 1_565 ?
S2 Na4 Na1 80.93(11) 4_556 1_565 ?
S5 Na4 Na1 132.23(14) . 1_565 ?
S5 Na4 Na1 42.96(8) 1_565 1_565 ?
S4 Na4 Na1 43.87(8) . 1_565 ?
Cd1 Na4 Na1 62.73(7) 1_565 1_565 ?
Na4 Na4 Na1 125.30(16) 5_566 1_565 ?
Na1 Na4 Na1 57.89(7) 4_556 1_565 ?
Na2 Na4 Na1 63.74(8) . 1_565 ?
Na3 Na4 Na1 116.91(13) 5_566 1_565 ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        27.69
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         1.230
_refine_diff_density_min         -1.740
_refine_diff_density_rms         0.272
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1860463'
_audit_update_record             
;
2018-08-06 deposited with the CCDC.
2019-01-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cd Na3 Sb Se4'
_chemical_formula_weight         618.96

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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   P2(1)/c

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

_cell_length_a                   7.353(3)
_cell_length_b                   16.105(7)
_cell_length_c                   8.320(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.483(4)
_cell_angle_gamma                90.00
_cell_volume                     944.8(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    617
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      22.62

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.124
_exptl_crystal_size_mid          0.105
_exptl_crystal_size_min          0.093
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.352
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1072
_exptl_absorpt_coefficient_mu    20.571
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5771
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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            4769
_diffrn_reflns_av_R_equivalents  0.0583
_diffrn_reflns_av_sigmaI/netI    0.0655
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         2.53
_diffrn_reflns_theta_max         24.98
_reflns_number_total             1652
_reflns_number_gt                1181
_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)+(0.0478P)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     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         1652
_refine_ls_number_parameters     82
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0476
_refine_ls_wR_factor_ref         0.1204
_refine_ls_wR_factor_gt          0.1110
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_restrained_S_all      1.095
_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
Sb1 Sb 0.71291(14) 0.85220(6) 0.80153(12) 0.0182(3) Uani 1 1 d . . .
Cd1 Cd 1.14164(15) 0.74614(6) 1.15754(13) 0.0155(3) Uani 1 1 d . . .
Se1 Se 0.5170(2) 0.98352(9) 0.75688(18) 0.0211(4) Uani 1 1 d . . .
Se2 Se 0.9291(2) 0.88410(9) 1.10253(18) 0.0171(4) Uani 1 1 d . . .
Se3 Se 0.9238(2) 0.88981(9) 0.60710(18) 0.0173(4) Uani 1 1 d . . .
Se4 Se 1.37071(19) 0.74657(8) 0.96452(18) 0.0149(4) Uani 1 1 d . . .
Na1 Na 0.6469(9) 0.6536(3) 0.7843(7) 0.0257(15) Uani 1 1 d U . .
Na2 Na 0.2284(8) 0.9375(3) 0.9291(7) 0.0239(14) Uani 1 1 d . . .
Na3 Na 0.2418(8) 0.9367(3) 0.4374(7) 0.0250(14) 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
Sb1 Se1 2.5262(19) . ?
Sb1 Se2 2.6083(19) . ?
Sb1 Se3 2.6100(19) . ?
Cd1 Se4 2.6330(19) 4_576 ?
Cd1 Se4 2.6365(19) . ?
Cd1 Se3 2.6745(19) 4_576 ?
Cd1 Se2 2.6802(19) . ?
Cd1 Na3 3.652(6) 4_676 ?
Cd1 Na2 3.667(6) 4_676 ?
Cd1 Na2 3.770(6) 1_655 ?
Cd1 Na3 3.796(6) 1_656 ?
Se1 Na3 2.946(6) . ?
Se1 Na2 2.972(6) . ?
Se1 Na1 2.973(5) 2_656 ?
Se1 Na3 3.006(6) 3_676 ?
Se1 Na2 3.028(6) 3_677 ?
Se2 Na1 2.956(6) 4_576 ?
Se2 Na2 3.077(6) 1_655 ?
Se2 Na2 3.080(6) 3_677 ?
Se2 Na3 3.183(6) 1_656 ?
Se3 Cd1 2.6745(19) 4_575 ?
Se3 Na1 2.957(6) 4_575 ?
Se3 Na3 3.028(6) 3_676 ?
Se3 Na2 3.062(6) 1_655 ?
Se3 Na3 3.147(6) 1_655 ?
Se4 Cd1 2.6330(19) 4_575 ?
Se4 Na3 3.089(6) 4_676 ?
Se4 Na1 3.216(6) 1_655 ?
Se4 Na2 3.235(6) 1_655 ?
Se4 Na1 3.275(6) 4_676 ?
Na1 Se2 2.956(6) 4_575 ?
Na1 Se3 2.957(6) 4_576 ?
Na1 Se1 2.973(5) 2_646 ?
Na1 Se4 3.216(6) 1_455 ?
Na1 Se4 3.275(6) 4_475 ?
Na1 Na3 3.842(8) 4_576 ?
Na1 Na2 3.898(8) 4_575 ?
Na1 Na2 4.126(8) 2_646 ?
Na1 Na3 4.142(8) 2_646 ?
Na2 Se1 3.028(6) 3_677 ?
Na2 Se3 3.062(6) 1_455 ?
Na2 Se2 3.077(6) 1_455 ?
Na2 Se2 3.080(6) 3_677 ?
Na2 Se4 3.235(6) 1_455 ?
Na2 Cd1 3.667(6) 4_475 ?
Na2 Cd1 3.770(6) 1_455 ?
Na2 Na1 3.898(8) 4_576 ?
Na2 Na1 4.126(8) 2_656 ?
Na2 Na3 4.202(8) 1_556 ?
Na3 Se1 3.006(6) 3_676 ?
Na3 Se3 3.028(6) 3_676 ?
Na3 Se4 3.089(6) 4_475 ?
Na3 Se3 3.147(6) 1_455 ?
Na3 Se2 3.183(6) 1_454 ?
Na3 Cd1 3.652(6) 4_475 ?
Na3 Cd1 3.796(6) 1_454 ?
Na3 Na1 3.842(8) 4_575 ?
Na3 Na1 4.142(8) 2_656 ?
Na3 Na3 4.173(11) 3_676 ?
Na3 Na2 4.202(8) 1_554 ?

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
Se1 Sb1 Se2 98.22(6) . . ?
Se1 Sb1 Se3 97.40(6) . . ?
Se2 Sb1 Se3 104.00(6) . . ?
Se4 Cd1 Se4 104.32(7) 4_576 . ?
Se4 Cd1 Se3 112.24(6) 4_576 4_576 ?
Se4 Cd1 Se3 111.36(6) . 4_576 ?
Se4 Cd1 Se2 108.07(6) 4_576 . ?
Se4 Cd1 Se2 109.64(6) . . ?
Se3 Cd1 Se2 110.95(7) 4_576 . ?
Se4 Cd1 Na3 110.97(10) 4_576 4_676 ?
Se4 Cd1 Na3 56.08(10) . 4_676 ?
Se3 Cd1 Na3 57.19(10) 4_576 4_676 ?
Se2 Cd1 Na3 140.69(10) . 4_676 ?
Se4 Cd1 Na2 59.12(10) 4_576 4_676 ?
Se4 Cd1 Na2 110.36(10) . 4_676 ?
Se3 Cd1 Na2 55.11(10) 4_576 4_676 ?
Se2 Cd1 Na2 139.92(10) . 4_676 ?
Na3 Cd1 Na2 68.52(13) 4_676 4_676 ?
Se4 Cd1 Na2 107.42(10) 4_576 1_655 ?
Se4 Cd1 Na2 57.45(10) . 1_655 ?
Se3 Cd1 Na2 140.33(10) 4_576 1_655 ?
Se2 Cd1 Na2 53.83(10) . 1_655 ?
Na3 Cd1 Na2 108.63(14) 4_676 1_655 ?
Na2 Cd1 Na2 161.03(18) 4_676 1_655 ?
Se4 Cd1 Na3 53.82(9) 4_576 1_656 ?
Se4 Cd1 Na3 108.97(10) . 1_656 ?
Se3 Cd1 Na3 139.59(10) 4_576 1_656 ?
Se2 Cd1 Na3 55.72(10) . 1_656 ?
Na3 Cd1 Na3 158.13(18) 4_676 1_656 ?
Na2 Cd1 Na3 107.75(13) 4_676 1_656 ?
Na2 Cd1 Na3 67.48(13) 1_655 1_656 ?
Sb1 Se1 Na3 97.79(12) . . ?
Sb1 Se1 Na2 100.13(13) . . ?
Na3 Se1 Na2 88.26(16) . . ?
Sb1 Se1 Na1 169.70(14) . 2_656 ?
Na3 Se1 Na1 88.82(17) . 2_656 ?
Na2 Se1 Na1 87.90(16) . 2_656 ?
Sb1 Se1 Na3 92.18(12) . 3_676 ?
Na3 Se1 Na3 89.03(16) . 3_676 ?
Na2 Se1 Na3 167.64(16) . 3_676 ?
Na1 Se1 Na3 79.99(16) 2_656 3_676 ?
Sb1 Se1 Na2 92.15(13) . 3_677 ?
Na3 Se1 Na2 169.79(16) . 3_677 ?
Na2 Se1 Na2 92.28(15) . 3_677 ?
Na1 Se1 Na2 81.02(17) 2_656 3_677 ?
Na3 Se1 Na2 88.28(16) 3_676 3_677 ?
Sb1 Se2 Cd1 99.65(6) . . ?
Sb1 Se2 Na1 97.23(13) . 4_576 ?
Cd1 Se2 Na1 101.67(11) . 4_576 ?
Sb1 Se2 Na2 85.81(12) . 1_655 ?
Cd1 Se2 Na2 81.49(12) . 1_655 ?
Na1 Se2 Na2 175.13(16) 4_576 1_655 ?
Sb1 Se2 Na2 89.42(12) . 3_677 ?
Cd1 Se2 Na2 167.04(12) . 3_677 ?
Na1 Se2 Na2 86.20(14) 4_576 3_677 ?
Na2 Se2 Na2 90.04(16) 1_655 3_677 ?
Sb1 Se2 Na3 170.03(12) . 1_656 ?
Cd1 Se2 Na3 80.20(11) . 1_656 ?
Na1 Se2 Na3 92.55(17) 4_576 1_656 ?
Na2 Se2 Na3 84.31(15) 1_655 1_656 ?
Na2 Se2 Na3 89.26(15) 3_677 1_656 ?
Sb1 Se3 Cd1 98.48(6) . 4_575 ?
Sb1 Se3 Na1 97.53(13) . 4_575 ?
Cd1 Se3 Na1 100.16(11) 4_575 4_575 ?
Sb1 Se3 Na3 90.05(12) . 3_676 ?
Cd1 Se3 Na3 167.58(12) 4_575 3_676 ?
Na1 Se3 Na3 87.57(15) 4_575 3_676 ?
Sb1 Se3 Na2 86.09(12) . 1_655 ?
Cd1 Se3 Na2 79.14(12) 4_575 1_655 ?
Na1 Se3 Na2 176.38(17) 4_575 1_655 ?
Na3 Se3 Na2 92.54(16) 3_676 1_655 ?
Sb1 Se3 Na3 168.96(12) . 1_655 ?
Cd1 Se3 Na3 77.23(11) 4_575 1_655 ?
Na1 Se3 Na3 93.27(16) 4_575 1_655 ?
Na3 Se3 Na3 92.74(16) 3_676 1_655 ?
Na2 Se3 Na3 83.12(15) 1_655 1_655 ?
Cd1 Se4 Cd1 104.33(7) 4_575 . ?
Cd1 Se4 Na3 82.71(12) 4_575 4_676 ?
Cd1 Se4 Na3 78.82(12) . 4_676 ?
Cd1 Se4 Na1 83.30(12) 4_575 1_655 ?
Cd1 Se4 Na1 151.62(11) . 1_655 ?
Na3 Se4 Na1 75.06(14) 4_676 1_655 ?
Cd1 Se4 Na2 76.58(11) 4_575 1_655 ?
Cd1 Se4 Na2 79.17(11) . 1_655 ?
Na3 Se4 Na2 144.81(15) 4_676 1_655 ?
Na1 Se4 Na2 129.12(14) 1_655 1_655 ?
Cd1 Se4 Na1 147.65(10) 4_575 4_676 ?
Cd1 Se4 Na1 82.10(11) . 4_676 ?
Na3 Se4 Na1 129.45(15) 4_676 4_676 ?
Na1 Se4 Na1 106.22(19) 1_655 4_676 ?
Na2 Se4 Na1 73.57(14) 1_655 4_676 ?
Se2 Na1 Se3 90.79(19) 4_575 4_576 ?
Se2 Na1 Se1 94.15(16) 4_575 2_646 ?
Se3 Na1 Se1 92.25(16) 4_576 2_646 ?
Se2 Na1 Se4 164.09(19) 4_575 1_455 ?
Se3 Na1 Se4 92.85(15) 4_576 1_455 ?
Se1 Na1 Se4 101.17(17) 2_646 1_455 ?
Se2 Na1 Se4 92.79(15) 4_575 4_475 ?
Se3 Na1 Se4 164.25(18) 4_576 4_475 ?
Se1 Na1 Se4 102.77(17) 2_646 4_475 ?
Se4 Na1 Se4 79.75(15) 1_455 4_475 ?
Se2 Na1 Na3 144.53(19) 4_575 4_576 ?
Se3 Na1 Na3 90.47(16) 4_576 4_576 ?
Se1 Na1 Na3 50.38(12) 2_646 4_576 ?
Se4 Na1 Na3 50.97(12) 1_455 4_576 ?
Se4 Na1 Na3 95.44(18) 4_475 4_576 ?
Se2 Na1 Na2 93.01(15) 4_575 4_575 ?
Se3 Na1 Na2 142.34(19) 4_576 4_575 ?
Se1 Na1 Na2 50.11(12) 2_646 4_575 ?
Se4 Na1 Na2 93.53(17) 1_455 4_575 ?
Se4 Na1 Na2 52.75(12) 4_475 4_575 ?
Na3 Na1 Na2 65.75(15) 4_576 4_575 ?
Se2 Na1 Na2 48.16(12) 4_575 2_646 ?
Se3 Na1 Na2 90.67(17) 4_576 2_646 ?
Se1 Na1 Na2 46.04(11) 2_646 2_646 ?
Se4 Na1 Na2 147.15(18) 1_455 2_646 ?
Se4 Na1 Na2 103.11(16) 4_475 2_646 ?
Na3 Na1 Na2 96.39(16) 4_576 2_646 ?
Na2 Na1 Na2 65.19(15) 4_575 2_646 ?
Se2 Na1 Na3 93.27(17) 4_575 2_646 ?
Se3 Na1 Na3 46.93(12) 4_576 2_646 ?
Se1 Na1 Na3 45.32(11) 2_646 2_646 ?
Se4 Na1 Na3 100.53(15) 1_455 2_646 ?
Se4 Na1 Na3 147.88(18) 4_475 2_646 ?
Na3 Na1 Na3 62.89(16) 4_576 2_646 ?
Na2 Na1 Na3 95.43(16) 4_575 2_646 ?
Na2 Na1 Na3 59.78(14) 2_646 2_646 ?
Se1 Na2 Se1 87.72(15) . 3_677 ?
Se1 Na2 Se3 94.93(16) . 1_455 ?
Se1 Na2 Se3 168.4(2) 3_677 1_455 ?
Se1 Na2 Se2 178.1(2) . 1_455 ?
Se1 Na2 Se2 93.56(16) 3_677 1_455 ?
Se3 Na2 Se2 84.10(14) 1_455 1_455 ?
Se1 Na2 Se2 91.67(15) . 3_677 ?
Se1 Na2 Se2 78.91(14) 3_677 3_677 ?
Se3 Na2 Se2 89.74(16) 1_455 3_677 ?
Se2 Na2 Se2 89.96(16) 1_455 3_677 ?
Se1 Na2 Se4 91.37(16) . 1_455 ?
Se1 Na2 Se4 102.45(17) 3_677 1_455 ?
Se3 Na2 Se4 88.76(14) 1_455 1_455 ?
Se2 Na2 Se4 86.98(14) 1_455 1_455 ?
Se2 Na2 Se4 176.7(2) 3_677 1_455 ?
Se1 Na2 Cd1 85.82(14) . 4_475 ?
Se1 Na2 Cd1 145.8(2) 3_677 4_475 ?
Se3 Na2 Cd1 45.75(8) 1_455 4_475 ?
Se2 Na2 Cd1 92.33(14) 1_455 4_475 ?
Se2 Na2 Cd1 134.77(19) 3_677 4_475 ?
Se4 Na2 Cd1 44.31(8) 1_455 4_475 ?
Se1 Na2 Cd1 133.87(19) . 1_455 ?
Se1 Na2 Cd1 93.43(15) 3_677 1_455 ?
Se3 Na2 Cd1 92.83(13) 1_455 1_455 ?
Se2 Na2 Cd1 44.68(8) 1_455 1_455 ?
Se2 Na2 Cd1 133.82(18) 3_677 1_455 ?
Se4 Na2 Cd1 43.39(8) 1_455 1_455 ?
Cd1 Na2 Cd1 68.05(10) 4_475 1_455 ?
Se1 Na2 Na1 86.63(16) . 4_576 ?
Se1 Na2 Na1 48.87(12) 3_677 4_576 ?
Se3 Na2 Na1 142.4(2) 1_455 4_576 ?
Se2 Na2 Na1 93.15(16) 1_455 4_576 ?
Se2 Na2 Na1 127.77(19) 3_677 4_576 ?
Se4 Na2 Na1 53.68(12) 1_455 4_576 ?
Cd1 Na2 Na1 97.20(16) 4_475 4_576 ?
Cd1 Na2 Na1 61.32(13) 1_455 4_576 ?
Se1 Na2 Na1 46.06(11) . 2_656 ?
Se1 Na2 Na1 81.88(15) 3_677 2_656 ?
Se3 Na2 Na1 91.83(16) 1_455 2_656 ?
Se2 Na2 Na1 135.5(2) 1_455 2_656 ?
Se2 Na2 Na1 45.64(11) 3_677 2_656 ?
Se4 Na2 Na1 137.33(19) 1_455 2_656 ?
Cd1 Na2 Na1 115.87(16) 4_475 2_656 ?
Cd1 Na2 Na1 175.31(19) 1_455 2_656 ?
Na1 Na2 Na1 114.81(15) 4_576 2_656 ?
Se1 Na2 Na3 132.06(18) . 1_556 ?
Se1 Na2 Na3 45.64(11) 3_677 1_556 ?
Se3 Na2 Na3 133.01(18) 1_455 1_556 ?
Se2 Na2 Na3 48.92(11) 1_455 1_556 ?
Se2 Na2 Na3 89.41(15) 3_677 1_556 ?
Se4 Na2 Na3 89.47(15) 1_455 1_556 ?
Cd1 Na2 Na3 124.60(15) 4_475 1_556 ?
Cd1 Na2 Na3 56.56(11) 1_455 1_556 ?
Na1 Na2 Na3 56.48(14) 4_576 1_556 ?
Na1 Na2 Na3 119.41(17) 2_656 1_556 ?
Se1 Na3 Se1 90.97(16) . 3_676 ?
Se1 Na3 Se3 91.36(16) . 3_676 ?
Se1 Na3 Se3 79.52(14) 3_676 3_676 ?
Se1 Na3 Se4 93.47(16) . 4_475 ?
Se1 Na3 Se4 103.42(18) 3_676 4_475 ?
Se3 Na3 Se4 174.3(2) 3_676 4_475 ?
Se1 Na3 Se3 93.68(17) . 1_455 ?
Se1 Na3 Se3 166.1(2) 3_676 1_455 ?
Se3 Na3 Se3 87.26(15) 3_676 1_455 ?
Se4 Na3 Se3 89.39(15) 4_475 1_455 ?
Se1 Na3 Se2 177.1(2) . 1_454 ?
Se1 Na3 Se2 91.89(16) 3_676 1_454 ?
Se3 Na3 Se2 88.46(15) 3_676 1_454 ?
Se4 Na3 Se2 86.56(15) 4_475 1_454 ?
Se3 Na3 Se2 83.37(14) 1_455 1_454 ?
Se1 Na3 Cd1 86.47(14) . 4_475 ?
Se1 Na3 Cd1 148.01(19) 3_676 4_475 ?
Se3 Na3 Cd1 132.37(19) 3_676 4_475 ?
Se4 Na3 Cd1 45.09(8) 4_475 4_475 ?
Se3 Na3 Cd1 45.58(8) 1_455 4_475 ?
Se2 Na3 Cd1 91.48(14) 1_454 4_475 ?
Se1 Na3 Cd1 136.42(19) . 1_454 ?
Se1 Na3 Cd1 93.28(15) 3_676 1_454 ?
Se3 Na3 Cd1 132.04(18) 3_676 1_454 ?
Se4 Na3 Cd1 43.47(8) 4_475 1_454 ?
Se3 Na3 Cd1 92.38(14) 1_455 1_454 ?
Se2 Na3 Cd1 44.08(8) 1_454 1_454 ?
Cd1 Na3 Cd1 67.91(10) 4_475 1_454 ?
Se1 Na3 Na1 89.84(17) . 4_575 ?
Se1 Na3 Na1 49.63(12) 3_676 4_575 ?
Se3 Na3 Na1 129.16(19) 3_676 4_575 ?
Se4 Na3 Na1 53.97(12) 4_475 4_575 ?
Se3 Na3 Na1 143.4(2) 1_455 4_575 ?
Se2 Na3 Na1 92.55(17) 1_454 4_575 ?
Cd1 Na3 Na1 98.44(16) 4_475 4_575 ?
Cd1 Na3 Na1 61.60(13) 1_454 4_575 ?
Se1 Na3 Na1 45.86(12) . 2_656 ?
Se1 Na3 Na1 83.52(15) 3_676 2_656 ?
Se3 Na3 Na1 45.51(11) 3_676 2_656 ?
Se4 Na3 Na1 139.21(19) 4_475 2_656 ?
Se3 Na3 Na1 90.32(16) 1_455 2_656 ?
Se2 Na3 Na1 133.86(18) 1_454 2_656 ?
Cd1 Na3 Na1 115.82(16) 4_475 2_656 ?
Cd1 Na3 Na1 176.26(18) 1_454 2_656 ?
Na1 Na3 Na1 117.11(16) 4_575 2_656 ?
Se1 Na3 Na3 46.07(12) . 3_676 ?
Se1 Na3 Na3 44.90(12) 3_676 3_676 ?
Se3 Na3 Na3 83.44(18) 3_676 3_676 ?
Se4 Na3 Na3 102.1(2) 4_475 3_676 ?
Se3 Na3 Na3 138.1(2) 1_455 3_676 ?
Se2 Na3 Na3 136.8(2) 1_454 3_676 ?
Cd1 Na3 Na3 124.6(2) 4_475 3_676 ?
Cd1 Na3 Na3 123.5(2) 1_454 3_676 ?
Na1 Na3 Na3 62.06(17) 4_575 3_676 ?
Na1 Na3 Na3 55.05(16) 2_656 3_676 ?
Se1 Na3 Na2 136.17(19) . 1_554 ?
Se1 Na3 Na2 46.08(11) 3_676 1_554 ?
Se3 Na3 Na2 88.87(15) 3_676 1_554 ?
Se4 Na3 Na2 89.75(15) 4_475 1_554 ?
Se3 Na3 Na2 130.09(18) 1_455 1_554 ?
Se2 Na3 Na2 46.78(11) 1_454 1_554 ?
Cd1 Na3 Na2 123.84(16) 4_475 1_554 ?
Cd1 Na3 Na2 55.96(11) 1_454 1_554 ?
Na1 Na3 Na2 57.77(14) 4_575 1_554 ?
Na1 Na3 Na2 120.30(16) 2_656 1_554 ?
Na3 Na3 Na2 90.55(19) 3_676 1_554 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Se2 Sb1 Se1 Na3 -172.84(12) . . . . ?
Se3 Sb1 Se1 Na3 81.78(13) . . . . ?
Se2 Sb1 Se1 Na2 -83.22(12) . . . . ?
Se3 Sb1 Se1 Na2 171.39(12) . . . . ?
Se2 Sb1 Se1 Na1 57.6(7) . . . 2_656 ?
Se3 Sb1 Se1 Na1 -47.8(7) . . . 2_656 ?
Se2 Sb1 Se1 Na3 97.84(12) . . . 3_676 ?
Se3 Sb1 Se1 Na3 -7.55(12) . . . 3_676 ?
Se2 Sb1 Se1 Na2 9.48(12) . . . 3_677 ?
Se3 Sb1 Se1 Na2 -95.91(12) . . . 3_677 ?
Se1 Sb1 Se2 Cd1 179.99(5) . . . . ?
Se3 Sb1 Se2 Cd1 -80.22(7) . . . . ?
Se1 Sb1 Se2 Na1 76.78(11) . . . 4_576 ?
Se3 Sb1 Se2 Na1 176.58(11) . . . 4_576 ?
Se1 Sb1 Se2 Na2 -99.39(12) . . . 1_655 ?
Se3 Sb1 Se2 Na2 0.40(12) . . . 1_655 ?
Se1 Sb1 Se2 Na2 -9.31(12) . . . 3_677 ?
Se3 Sb1 Se2 Na2 90.48(11) . . . 3_677 ?
Se1 Sb1 Se2 Na3 -91.7(7) . . . 1_656 ?
Se3 Sb1 Se2 Na3 8.1(7) . . . 1_656 ?
Se4 Cd1 Se2 Sb1 -177.04(5) 4_576 . . . ?
Se4 Cd1 Se2 Sb1 69.84(7) . . . . ?
Se3 Cd1 Se2 Sb1 -53.59(7) 4_576 . . . ?
Na3 Cd1 Se2 Sb1 9.79(17) 4_676 . . . ?
Na2 Cd1 Se2 Sb1 -113.83(16) 4_676 . . . ?
Na2 Cd1 Se2 Sb1 84.24(12) 1_655 . . . ?
Na3 Cd1 Se2 Sb1 169.88(12) 1_656 . . . ?
Se4 Cd1 Se2 Na1 -77.52(14) 4_576 . . 4_576 ?
Se4 Cd1 Se2 Na1 169.36(13) . . . 4_576 ?
Se3 Cd1 Se2 Na1 45.94(14) 4_576 . . 4_576 ?
Na3 Cd1 Se2 Na1 109.3(2) 4_676 . . 4_576 ?
Na2 Cd1 Se2 Na1 -14.3(2) 4_676 . . 4_576 ?
Na2 Cd1 Se2 Na1 -176.24(17) 1_655 . . 4_576 ?
Na3 Cd1 Se2 Na1 -90.60(17) 1_656 . . 4_576 ?
Se4 Cd1 Se2 Na2 98.72(12) 4_576 . . 1_655 ?
Se4 Cd1 Se2 Na2 -14.40(12) . . . 1_655 ?
Se3 Cd1 Se2 Na2 -137.82(12) 4_576 . . 1_655 ?
Na3 Cd1 Se2 Na2 -74.45(19) 4_676 . . 1_655 ?
Na2 Cd1 Se2 Na2 161.9(2) 4_676 . . 1_655 ?
Na3 Cd1 Se2 Na2 85.64(15) 1_656 . . 1_655 ?
Se4 Cd1 Se2 Na2 49.1(6) 4_576 . . 3_677 ?
Se4 Cd1 Se2 Na2 -64.0(6) . . . 3_677 ?
Se3 Cd1 Se2 Na2 172.5(5) 4_576 . . 3_677 ?
Na3 Cd1 Se2 Na2 -124.1(5) 4_676 . . 3_677 ?
Na2 Cd1 Se2 Na2 112.3(5) 4_676 . . 3_677 ?
Na2 Cd1 Se2 Na2 -49.6(6) 1_655 . . 3_677 ?
Na3 Cd1 Se2 Na2 36.0(6) 1_656 . . 3_677 ?
Se4 Cd1 Se2 Na3 13.08(12) 4_576 . . 1_656 ?
Se4 Cd1 Se2 Na3 -100.05(12) . . . 1_656 ?
Se3 Cd1 Se2 Na3 136.53(12) 4_576 . . 1_656 ?
Na3 Cd1 Se2 Na3 -160.1(2) 4_676 . . 1_656 ?
Na2 Cd1 Se2 Na3 76.28(19) 4_676 . . 1_656 ?
Na2 Cd1 Se2 Na3 -85.64(15) 1_655 . . 1_656 ?
Se1 Sb1 Se3 Cd1 178.42(5) . . . 4_575 ?
Se2 Sb1 Se3 Cd1 77.99(7) . . . 4_575 ?
Se1 Sb1 Se3 Na1 -80.07(11) . . . 4_575 ?
Se2 Sb1 Se3 Na1 179.50(11) . . . 4_575 ?
Se1 Sb1 Se3 Na3 7.48(12) . . . 3_676 ?
Se2 Sb1 Se3 Na3 -92.94(12) . . . 3_676 ?
Se1 Sb1 Se3 Na2 100.02(12) . . . 1_655 ?
Se2 Sb1 Se3 Na2 -0.40(12) . . . 1_655 ?
Se1 Sb1 Se3 Na3 112.2(6) . . . 1_655 ?
Se2 Sb1 Se3 Na3 11.8(6) . . . 1_655 ?
Se4 Cd1 Se4 Cd1 -174.72(7) 4_576 . . 4_575 ?
Se3 Cd1 Se4 Cd1 63.99(6) 4_576 . . 4_575 ?
Se2 Cd1 Se4 Cd1 -59.19(6) . . . 4_575 ?
Na3 Cd1 Se4 Cd1 79.40(11) 4_676 . . 4_575 ?
Na2 Cd1 Se4 Cd1 123.33(11) 4_676 . . 4_575 ?
Na2 Cd1 Se4 Cd1 -72.97(11) 1_655 . . 4_575 ?
Na3 Cd1 Se4 Cd1 -118.54(10) 1_656 . . 4_575 ?
Se4 Cd1 Se4 Na3 105.88(12) 4_576 . . 4_676 ?
Se3 Cd1 Se4 Na3 -15.41(12) 4_576 . . 4_676 ?
Se2 Cd1 Se4 Na3 -138.59(12) . . . 4_676 ?
Na2 Cd1 Se4 Na3 43.93(15) 4_676 . . 4_676 ?
Na2 Cd1 Se4 Na3 -152.37(16) 1_655 . . 4_676 ?
Na3 Cd1 Se4 Na3 162.06(19) 1_656 . . 4_676 ?
Se4 Cd1 Se4 Na1 82.6(3) 4_576 . . 1_655 ?
Se3 Cd1 Se4 Na1 -38.7(3) 4_576 . . 1_655 ?
Se2 Cd1 Se4 Na1 -161.9(2) . . . 1_655 ?
Na3 Cd1 Se4 Na1 -23.3(3) 4_676 . . 1_655 ?
Na2 Cd1 Se4 Na1 20.6(3) 4_676 . . 1_655 ?
Na2 Cd1 Se4 Na1 -175.7(3) 1_655 . . 1_655 ?
Na3 Cd1 Se4 Na1 138.8(3) 1_656 . . 1_655 ?
Se4 Cd1 Se4 Na2 -101.75(11) 4_576 . . 1_655 ?
Se3 Cd1 Se4 Na2 136.96(12) 4_576 . . 1_655 ?
Se2 Cd1 Se4 Na2 13.78(11) . . . 1_655 ?
Na3 Cd1 Se4 Na2 152.37(16) 4_676 . . 1_655 ?
Na2 Cd1 Se4 Na2 -163.70(19) 4_676 . . 1_655 ?
Na3 Cd1 Se4 Na2 -45.57(14) 1_656 . . 1_655 ?
Se4 Cd1 Se4 Na1 -27.07(9) 4_576 . . 4_676 ?
Se3 Cd1 Se4 Na1 -148.35(10) 4_576 . . 4_676 ?
Se2 Cd1 Se4 Na1 88.47(10) . . . 4_676 ?
Na3 Cd1 Se4 Na1 -132.94(14) 4_676 . . 4_676 ?
Na2 Cd1 Se4 Na1 -89.01(14) 4_676 . . 4_676 ?
Na2 Cd1 Se4 Na1 74.69(14) 1_655 . . 4_676 ?
Na3 Cd1 Se4 Na1 29.11(13) 1_656 . . 4_676 ?
Sb1 Se1 Na2 Se1 92.59(12) . . . 3_677 ?
Na3 Se1 Na2 Se1 -169.80(16) . . . 3_677 ?
Na1 Se1 Na2 Se1 -80.92(16) 2_656 . . 3_677 ?
Na3 Se1 Na2 Se1 -92.4(7) 3_676 . . 3_677 ?
Na2 Se1 Na2 Se1 0.0 3_677 . . 3_677 ?
Sb1 Se1 Na2 Se3 -98.70(13) . . . 1_455 ?
Na3 Se1 Na2 Se3 -1.09(17) . . . 1_455 ?
Na1 Se1 Na2 Se3 87.79(17) 2_656 . . 1_455 ?
Na3 Se1 Na2 Se3 76.3(8) 3_676 . . 1_455 ?
Na2 Se1 Na2 Se3 168.7(2) 3_677 . . 1_455 ?
Sb1 Se1 Na2 Se2 -40(7) . . . 1_455 ?
Na3 Se1 Na2 Se2 58(7) . . . 1_455 ?
Na1 Se1 Na2 Se2 147(7) 2_656 . . 1_455 ?
Na3 Se1 Na2 Se2 135(6) 3_676 . . 1_455 ?
Na2 Se1 Na2 Se2 -132(7) 3_677 . . 1_455 ?
Sb1 Se1 Na2 Se2 171.42(11) . . . 3_677 ?
Na3 Se1 Na2 Se2 -90.98(16) . . . 3_677 ?
Na1 Se1 Na2 Se2 -2.10(16) 2_656 . . 3_677 ?
Na3 Se1 Na2 Se2 -13.6(8) 3_676 . . 3_677 ?
Na2 Se1 Na2 Se2 78.82(14) 3_677 . . 3_677 ?
Sb1 Se1 Na2 Se4 -9.82(13) . . . 1_455 ?
Na3 Se1 Na2 Se4 87.79(15) . . . 1_455 ?
Na1 Se1 Na2 Se4 176.67(16) 2_656 . . 1_455 ?
Na3 Se1 Na2 Se4 165.2(7) 3_676 . . 1_455 ?
Na2 Se1 Na2 Se4 -102.41(17) 3_677 . . 1_455 ?
Sb1 Se1 Na2 Cd1 -53.81(11) . . . 4_475 ?
Na3 Se1 Na2 Cd1 43.80(14) . . . 4_475 ?
Na1 Se1 Na2 Cd1 132.68(15) 2_656 . . 4_475 ?
Na3 Se1 Na2 Cd1 121.2(7) 3_676 . . 4_475 ?
Na2 Se1 Na2 Cd1 -146.40(19) 3_677 . . 4_475 ?
Sb1 Se1 Na2 Cd1 0.0(2) . . . 1_455 ?
Na3 Se1 Na2 Cd1 97.6(2) . . . 1_455 ?
Na1 Se1 Na2 Cd1 -173.5(3) 2_656 . . 1_455 ?
Na3 Se1 Na2 Cd1 175.1(6) 3_676 . . 1_455 ?
Na2 Se1 Na2 Cd1 -92.6(3) 3_677 . . 1_455 ?
Sb1 Se1 Na2 Na1 43.67(13) . . . 4_576 ?
Na3 Se1 Na2 Na1 141.28(15) . . . 4_576 ?
Na1 Se1 Na2 Na1 -129.84(12) 2_656 . . 4_576 ?
Na3 Se1 Na2 Na1 -141.3(7) 3_676 . . 4_576 ?
Na2 Se1 Na2 Na1 -48.92(12) 3_677 . . 4_576 ?
Sb1 Se1 Na2 Na1 173.51(13) . . . 2_656 ?
Na3 Se1 Na2 Na1 -88.88(17) . . . 2_656 ?
Na3 Se1 Na2 Na1 -11.5(7) 3_676 . . 2_656 ?
Na2 Se1 Na2 Na1 80.92(16) 3_677 . . 2_656 ?
Sb1 Se1 Na2 Na3 80.7(2) . . . 1_556 ?
Na3 Se1 Na2 Na3 178.3(3) . . . 1_556 ?
Na1 Se1 Na2 Na3 -92.8(3) 2_656 . . 1_556 ?
Na3 Se1 Na2 Na3 -104.3(7) 3_676 . . 1_556 ?
Na2 Se1 Na2 Na3 -11.89(15) 3_677 . . 1_556 ?
Sb1 Se1 Na3 Se1 -92.07(12) . . . 3_676 ?
Na2 Se1 Na3 Se1 167.94(16) . . . 3_676 ?
Na1 Se1 Na3 Se1 80.00(16) 2_656 . . 3_676 ?
Na3 Se1 Na3 Se1 0.0 3_676 . . 3_676 ?
Na2 Se1 Na3 Se1 74.7(9) 3_677 . . 3_676 ?
Sb1 Se1 Na3 Se3 -171.61(11) . . . 3_676 ?
Na2 Se1 Na3 Se3 88.40(16) . . . 3_676 ?
Na1 Se1 Na3 Se3 0.46(16) 2_656 . . 3_676 ?
Na3 Se1 Na3 Se3 -79.54(15) 3_676 . . 3_676 ?
Na2 Se1 Na3 Se3 -4.8(10) 3_677 . . 3_676 ?
Sb1 Se1 Na3 Se4 11.44(14) . . . 4_475 ?
Na2 Se1 Na3 Se4 -88.55(16) . . . 4_475 ?
Na1 Se1 Na3 Se4 -176.49(16) 2_656 . . 4_475 ?
Na3 Se1 Na3 Se4 103.51(18) 3_676 . . 4_475 ?
Na2 Se1 Na3 Se4 178.3(8) 3_677 . . 4_475 ?
Sb1 Se1 Na3 Se3 101.05(12) . . . 1_455 ?
Na2 Se1 Na3 Se3 1.06(16) . . . 1_455 ?
Na1 Se1 Na3 Se3 -86.88(16) 2_656 . . 1_455 ?
Na3 Se1 Na3 Se3 -166.9(2) 3_676 . . 1_455 ?
Na2 Se1 Na3 Se3 -92.1(9) 3_677 . . 1_455 ?
Sb1 Se1 Na3 Se2 102(4) . . . 1_454 ?
Na2 Se1 Na3 Se2 2(4) . . . 1_454 ?
Na1 Se1 Na3 Se2 -86(4) 2_656 . . 1_454 ?
Na3 Se1 Na3 Se2 -166(4) 3_676 . . 1_454 ?
Na2 Se1 Na3 Se2 -91(4) 3_677 . . 1_454 ?
Sb1 Se1 Na3 Cd1 56.01(11) . . . 4_475 ?
Na2 Se1 Na3 Cd1 -43.98(14) . . . 4_475 ?
Na1 Se1 Na3 Cd1 -131.91(14) 2_656 . . 4_475 ?
Na3 Se1 Na3 Cd1 148.08(19) 3_676 . . 4_475 ?
Na2 Se1 Na3 Cd1 -137.2(8) 3_677 . . 4_475 ?
Sb1 Se1 Na3 Cd1 3.7(3) . . . 1_454 ?
Na2 Se1 Na3 Cd1 -96.3(3) . . . 1_454 ?
Na1 Se1 Na3 Cd1 175.8(3) 2_656 . . 1_454 ?
Na3 Se1 Na3 Cd1 95.8(3) 3_676 . . 1_454 ?
Na2 Se1 Na3 Cd1 170.5(7) 3_677 . . 1_454 ?
Sb1 Se1 Na3 Na1 -42.45(13) . . . 4_575 ?
Na2 Se1 Na3 Na1 -142.44(16) . . . 4_575 ?
Na1 Se1 Na3 Na1 129.63(12) 2_656 . . 4_575 ?
Na3 Se1 Na3 Na1 49.62(12) 3_676 . . 4_575 ?
Na2 Se1 Na3 Na1 124.4(9) 3_677 . . 4_575 ?
Sb1 Se1 Na3 Na1 -172.08(13) . . . 2_656 ?
Na2 Se1 Na3 Na1 87.93(16) . . . 2_656 ?
Na3 Se1 Na3 Na1 -80.00(16) 3_676 . . 2_656 ?
Na2 Se1 Na3 Na1 -5.3(9) 3_677 . . 2_656 ?
Sb1 Se1 Na3 Na3 -92.07(12) . . . 3_676 ?
Na2 Se1 Na3 Na3 167.94(16) . . . 3_676 ?
Na1 Se1 Na3 Na3 80.00(16) 2_656 . . 3_676 ?
Na2 Se1 Na3 Na3 74.7(9) 3_677 . . 3_676 ?
Sb1 Se1 Na3 Na2 -81.8(3) . . . 1_554 ?
Na2 Se1 Na3 Na2 178.2(3) . . . 1_554 ?
Na1 Se1 Na3 Na2 90.3(3) 2_656 . . 1_554 ?
Na3 Se1 Na3 Na2 10.25(17) 3_676 . . 1_554 ?
Na2 Se1 Na3 Na2 85.0(9) 3_677 . . 1_554 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        24.98
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.649
_refine_diff_density_min         -1.897
_refine_diff_density_rms         0.369
