# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

####################################################################### 
# 
# 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/. 
# 
# Audit and citation data items have may 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_a
_database_code_depnum_ccdc_archive 'CCDC 1013817'
#Added by publCIF



_audit_update_record             
;
2014-07-14 deposited with the CCDC.
2014-12-05 downloaded from the CCDC.
;
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ba4 Ga4 Se12 Sn'
_chemical_formula_weight         1894.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   P-421c

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

_cell_length_a                   13.6066(19)
_cell_length_b                   13.6066(19)
_cell_length_c                   6.5095(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1205.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    4958
_cell_measurement_theta_min      2.1168
_cell_measurement_theta_max      31.5022


_exptl_crystal_description       Chip
_exptl_crystal_colour            Red
_exptl_crystal_size_max          0.1000
_exptl_crystal_size_mid          0.0800
_exptl_crystal_size_min          0.0700
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    5.221
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1612
_exptl_absorpt_coefficient_mu    29.943
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.052
_exptl_absorpt_correction_T_max  0.134
_exptl_absorpt_process_details   face-indexed

_exptl_special_details           ?

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_measurement_device_type  'Rigaku AFC10 diffractometer'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11668
_diffrn_reflns_av_R_equivalents  0.0624
_diffrn_reflns_av_sigmaI/netI    0.0459
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         2.12
_diffrn_reflns_theta_max         31.50
_reflns_number_total             1994
_reflns_number_gt                1953
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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)+(0.0400P)²+30.0000P] 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       0.00081(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.14(4)
_refine_ls_number_reflns         1994
_refine_ls_number_parameters     50
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0465
_refine_ls_wR_factor_ref         0.1056
_refine_ls_wR_factor_gt          0.1049
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.001
_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
Ba Ba 0.02128(5) 0.69846(5) 0.04608(12) 0.01763(17) Uani 1 1 d . . .
Ga Ga -0.25938(8) 0.64116(8) 0.05324(19) 0.0069(2) Uani 1 1 d . . .
Sn Sn 0.0000 1.0000 0.5000 0.0265(4) Uani 1 4 d S . .
Se1 Se 0.10098(8) 0.91233(8) 0.25079(17) 0.0128(2) Uani 1 1 d . . .
Se2 Se -0.19624(9) 0.79299(8) 0.20695(17) 0.0123(2) Uani 1 1 d . . .
Se3 Se 0.14023(8) 0.48752(8) 0.04293(18) 0.0120(2) 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
Ba Se3 3.2952(13) . ?
Ba Se2 3.3395(13) 4_665 ?
Ba Se3 3.3516(14) 2_565 ?
Ba Se3 3.3614(15) 8_455 ?
Ba Se1 3.3794(14) . ?
Ba Se2 3.3928(14) . ?
Ba Se3 3.4009(15) 8_454 ?
Ba Se1 3.6577(14) 3_465 ?
Ba Ga 3.8979(14) . ?
Ba Ba 4.7136(12) 8_454 ?
Ba Ba 4.7136(12) 8_455 ?
Ga Se3 2.3872(15) 2_565 ?
Ga Se1 2.4015(16) 6_465 ?
Ga Se2 2.4191(17) 7_554 ?
Ga Se2 2.4510(16) . ?
Sn Se1 2.4377(12) 4_666 ?
Sn Se1 2.4377(12) 2_575 ?
Sn Se1 2.4377(12) . ?
Sn Se1 2.4377(12) 3_466 ?
Se1 Ga 2.4015(16) 6_565 ?
Se1 Ba 3.6577(14) 4_665 ?
Se2 Ga 2.4191(17) 7 ?
Se2 Ba 3.3395(13) 3_465 ?
Se3 Ga 2.3872(15) 2_565 ?
Se3 Ba 3.3516(14) 2_565 ?
Se3 Ba 3.3614(15) 8_454 ?
Se3 Ba 3.4009(16) 8_455 ?

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
Se3 Ba Se2 89.94(3) . 4_665 ?
Se3 Ba Se3 70.39(3) . 2_565 ?
Se2 Ba Se3 144.79(4) 4_665 2_565 ?
Se3 Ba Se3 82.40(3) . 8_455 ?
Se2 Ba Se3 132.77(3) 4_665 8_455 ?
Se3 Ba Se3 74.83(3) 2_565 8_455 ?
Se3 Ba Se1 126.50(3) . . ?
Se2 Ba Se1 65.30(3) 4_665 . ?
Se3 Ba Se1 149.65(4) 2_565 . ?
Se3 Ba Se1 82.38(3) 8_455 . ?
Se3 Ba Se2 139.52(4) . . ?
Se2 Ba Se2 130.52(4) 4_665 . ?
Se3 Ba Se2 73.51(3) 2_565 . ?
Se3 Ba Se2 70.92(3) 8_455 . ?
Se1 Ba Se2 80.31(3) . . ?
Se3 Ba Se3 81.80(3) . 8_454 ?
Se2 Ba Se3 74.17(3) 4_665 8_454 ?
Se3 Ba Se3 74.32(3) 2_565 8_454 ?
Se3 Ba Se3 148.57(4) 8_455 8_454 ?
Se1 Ba Se3 128.59(4) . 8_454 ?
Se2 Ba Se3 105.53(3) . 8_454 ?
Se3 Ba Se1 147.74(4) . 3_465 ?
Se2 Ba Se1 74.10(3) 4_665 3_465 ?
Se3 Ba Se1 107.12(3) 2_565 3_465 ?
Se3 Ba Se1 128.96(3) 8_455 3_465 ?
Se1 Ba Se1 72.30(4) . 3_465 ?
Se2 Ba Se1 61.75(3) . 3_465 ?
Se3 Ba Se1 67.06(3) 8_454 3_465 ?
Se3 Ba Ga 107.88(3) . . ?
Se2 Ba Ga 146.42(3) 4_665 . ?
Se3 Ba Ga 37.50(2) 2_565 . ?
Se3 Ba Ga 78.90(3) 8_455 . ?
Se1 Ba Ga 118.81(3) . . ?
Se2 Ba Ga 38.51(3) . . ?
Se3 Ba Ga 80.36(3) 8_454 . ?
Se1 Ba Ga 76.03(3) 3_465 . ?
Se3 Ba Ba 45.49(3) . 8_454 ?
Se2 Ba Ba 59.46(2) 4_665 8_454 ?
Se3 Ba Ba 86.84(2) 2_565 8_454 ?
Se3 Ba Ba 127.86(3) 8_455 8_454 ?
Se1 Ba Ba 123.27(2) . 8_454 ?
Se2 Ba Ba 148.56(2) . 8_454 ?
Se3 Ba Ba 44.350(19) 8_454 8_454 ?
Se1 Ba Ba 102.95(2) 3_465 8_454 ?
Ga Ba Ba 114.02(2) . 8_454 ?
Se3 Ba Ba 46.18(3) . 8_455 ?
Se2 Ba Ba 99.96(3) 4_665 8_455 ?
Se3 Ba Ba 87.33(2) 2_565 8_455 ?
Se3 Ba Ba 44.353(19) 8_455 8_455 ?
Se1 Ba Ba 90.23(2) . 8_455 ?
Se2 Ba Ba 115.27(2) . 8_455 ?
Se3 Ba Ba 127.95(3) 8_454 8_455 ?
Se1 Ba Ba 162.49(2) 3_465 8_455 ?
Ga Ba Ba 112.99(2) . 8_455 ?
Ba Ba Ba 87.34(3) 8_454 8_455 ?
Se3 Ga Se1 109.27(6) 2_565 6_465 ?
Se3 Ga Se2 109.23(6) 2_565 7_554 ?
Se1 Ga Se2 116.06(6) 6_465 7_554 ?
Se3 Ga Se2 113.06(6) 2_565 . ?
Se1 Ga Se2 108.42(6) 6_465 . ?
Se2 Ga Se2 100.69(5) 7_554 . ?
Se3 Ga Ba 58.73(4) 2_565 . ?
Se1 Ga Ba 147.36(5) 6_465 . ?
Se2 Ga Ba 96.44(4) 7_554 . ?
Se2 Ga Ba 59.53(4) . . ?
Se1 Sn Se1 116.29(3) 4_666 2_575 ?
Se1 Sn Se1 116.29(3) 4_666 . ?
Se1 Sn Se1 96.56(5) 2_575 . ?
Se1 Sn Se1 96.56(5) 4_666 3_466 ?
Se1 Sn Se1 116.29(3) 2_575 3_466 ?
Se1 Sn Se1 116.29(3) . 3_466 ?
Ga Se1 Sn 103.93(5) 6_565 . ?
Ga Se1 Ba 101.67(5) 6_565 . ?
Sn Se1 Ba 120.19(4) . . ?
Ga Se1 Ba 79.23(4) 6_565 4_665 ?
Sn Se1 Ba 125.01(4) . 4_665 ?
Ba Se1 Ba 112.34(3) . 4_665 ?
Ga Se2 Ga 109.25(6) 7 . ?
Ga Se2 Ba 137.36(5) 7 3_465 ?
Ga Se2 Ba 106.63(5) . 3_465 ?
Ga Se2 Ba 86.89(4) 7 . ?
Ga Se2 Ba 81.96(4) . . ?
Ba Se2 Ba 120.59(4) 3_465 . ?
Ga Se3 Ba 166.48(6) 2_565 . ?
Ga Se3 Ba 83.76(4) 2_565 2_565 ?
Ba Se3 Ba 109.61(3) . 2_565 ?
Ga Se3 Ba 88.12(5) 2_565 8_454 ?
Ba Se3 Ba 90.16(3) . 8_454 ?
Ba Se3 Ba 105.28(4) 2_565 8_454 ?
Ga Se3 Ba 85.05(4) 2_565 8_455 ?
Ba Se3 Ba 89.47(3) . 8_455 ?
Ba Se3 Ba 104.41(4) 2_565 8_455 ?
Ba Se3 Ba 148.57(4) 8_454 8_455 ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        31.50
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         4.059
_refine_diff_density_min         -3.801
_refine_diff_density_rms         0.417

####################################################################### 
# 
# 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/. 
# 
# Audit and citation data items have may 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_p21c
_database_code_depnum_ccdc_archive 'CCDC 1013818'
#Added by publCIF



_audit_update_record             
;
2014-07-14 deposited with the CCDC.
2014-12-05 downloaded from the CCDC.
;
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ba6 Ga2 Se11 Sn'
_chemical_formula_weight         1950.73

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/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                   18.715(4)
_cell_length_b                   7.1091(14)
_cell_length_c                   19.165(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.29(3)
_cell_angle_gamma                90.00
_cell_volume                     2481.5(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    7528
_cell_measurement_theta_min      2.2519
_cell_measurement_theta_max      31.4919

_exptl_crystal_description       Prism
_exptl_crystal_colour            Red
_exptl_crystal_size_max          0.1050
_exptl_crystal_size_mid          0.0700
_exptl_crystal_size_min          0.0500
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    5.221
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3288
_exptl_absorpt_coefficient_mu    28.598
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.052
_exptl_absorpt_correction_T_max  0.134
_exptl_absorpt_process_details   face-indexed

_exptl_special_details           ?

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_measurement_device_type  'Rigaku AFC10 diffractometer'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            29176
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.18
_diffrn_reflns_theta_max         31.47
_reflns_number_total             8205
_reflns_number_gt                5978
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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)+(0.0400P)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         8205
_refine_ls_number_parameters     191
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0517
_refine_ls_wR_factor_ref         0.1104
_refine_ls_wR_factor_gt          0.0990
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_restrained_S_all      1.120
_refine_ls_shift/su_max          0.001
_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
Ba1 Ba 0.11020(3) 0.25799(8) 0.05461(3) 0.01301(11) Uani 1 1 d . . .
Ba2 Ba 0.54410(3) 0.75070(8) 0.45866(3) 0.01092(10) Uani 1 1 d . . .
Ba3 Ba 0.24077(3) 1.25607(8) 0.33670(3) 0.01508(12) Uani 1 1 d . . .
Ba4 Ba 0.08298(3) -0.23763(8) 0.19931(3) 0.01642(12) Uani 1 1 d . . .
Ba5 Ba 0.38440(3) 0.75083(8) 0.24783(3) 0.01080(10) Uani 1 1 d . . .
Ba6 Ba 0.26097(3) 0.74957(8) 0.03372(3) 0.01511(11) Uani 1 1 d . . .
Sn1 Sn -0.08024(4) 0.13529(12) 0.10529(4) 0.0137(2) Uani 0.8054(19) 1 d P . .
Sn1A Sn -0.0789(3) 0.3618(10) 0.1059(3) 0.0540(18) Uani 0.1946(19) 1 d P . .
Ga1 Ga 0.29739(5) 0.25258(13) 0.15277(5) 0.00707(17) Uani 1 1 d . . .
Ga2 Ga 0.55658(5) 0.74980(13) 0.65200(5) 0.00716(17) Uani 1 1 d . . .
Se1 Se 0.57176(4) 0.75366(14) 0.28481(4) 0.01258(17) Uani 1 1 d . . .
Se2 Se 0.07858(5) -0.24053(14) 0.02074(5) 0.01396(18) Uani 1 1 d . . .
Se3 Se 0.38819(5) 0.98844(12) 0.39101(5) 0.01008(17) Uani 1 1 d . . .
Se4 Se 0.23273(5) 0.51549(12) 0.18273(5) 0.01094(18) Uani 1 1 d . . .
Se5 Se 0.23478(5) -0.00997(12) 0.18466(5) 0.01102(18) Uani 1 1 d . . .
Se6 Se 0.38939(5) 0.51342(12) 0.39146(5) 0.01061(18) Uani 1 1 d . . .
Se7 Se 0.08650(5) 0.22195(18) -0.11380(6) 0.0278(3) Uani 1 1 d . . .
Se8 Se 0.27824(4) 0.25030(13) 0.02458(4) 0.01198(17) Uani 1 1 d . . .
Se9 Se 0.19275(5) 1.75593(14) 0.36051(5) 0.01696(19) Uani 1 1 d . . .
Se10 Se 0.56939(5) 1.24909(15) 0.40955(5) 0.01636(19) Uani 1 1 d . . .
Se11 Se 0.03455(5) 0.24612(14) 0.19114(5) 0.01531(19) 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
Ba1 Se7 3.1655(13) . ?
Ba1 Se11 3.2500(13) . ?
Ba1 Se8 3.3251(11) . ?
Ba1 Se4 3.4713(14) . ?
Ba1 Se2 3.4982(14) 3 ?
Ba1 Se5 3.5504(14) . ?
Ba1 Ga1 3.5754(15) . ?
Ba1 Se2 3.6270(13) . ?
Ba1 Se2 3.6476(13) 1_565 ?
Ba1 Sn1A 3.955(5) . ?
Ba1 Sn1 4.0000(12) . ?
Ba1 Sn1A 4.036(6) 3_565 ?
Ba2 Se8 3.2662(11) 2_655 ?
Ba2 Se6 3.3426(12) . ?
Ba2 Se3 3.3633(12) . ?
Ba2 Se3 3.4157(12) 3_676 ?
Ba2 Se6 3.4179(12) 3_666 ?
Ba2 Se1 3.4873(12) . ?
Ba2 Se10 3.6547(14) 3_676 ?
Ba2 Ga2 3.6587(13) . ?
Ba2 Se10 3.7240(14) . ?
Ba2 Se10 3.7458(14) 1_545 ?
Ba2 Ba2 4.3592(12) 3_676 ?
Ba2 Ba2 4.3753(12) 3_666 ?
Ba3 Se7 3.2434(13) 4_576 ?
Ba3 Se6 3.2928(12) 1_565 ?
Ba3 Se3 3.3159(12) . ?
Ba3 Se4 3.4536(12) 1_565 ?
Ba3 Se5 3.4539(12) 1_565 ?
Ba3 Se8 3.5068(13) 4_576 ?
Ba3 Se9 3.7192(14) . ?
Ba3 Se9 3.7211(13) 1_545 ?
Ba3 Ga2 3.7490(13) 3_676 ?
Ba3 Ga1 3.9072(13) 1_565 ?
Ba4 Se7 3.2201(15) 3 ?
Ba4 Se9 3.2936(16) 1_535 ?
Ba4 Se5 3.3371(11) . ?
Ba4 Se11 3.3737(13) 2_545 ?
Ba4 Se4 3.3832(11) 1_545 ?
Ba4 Se2 3.4043(12) . ?
Ba4 Se11 3.5508(13) . ?
Ba4 Se11 3.7749(14) 1_545 ?
Ba4 Sn1A 3.816(5) 2_545 ?
Ba4 Sn1 3.8639(12) 2_545 ?
Ba4 Ba1 4.6322(10) 1_545 ?
Ba5 Se3 3.2090(11) . ?
Ba5 Se6 3.2117(11) . ?
Ba5 Se5 3.2618(12) 1_565 ?
Ba5 Se4 3.2839(12) . ?
Ba5 Se10 3.3235(12) 2_645 ?
Ba5 Se1 3.4140(12) . ?
Ba5 Se1 3.7139(13) 2_645 ?
Ba5 Se1 3.7522(13) 2_655 ?
Ba5 Ba6 4.2209(15) . ?
Ba6 Se10 3.1104(13) 2_645 ?
Ba6 Se9 3.2714(14) 4_585 ?
Ba6 Se2 3.3658(12) 1_565 ?
Ba6 Se4 3.4493(12) . ?
Ba6 Se5 3.4904(12) 1_565 ?
Ba6 Se8 3.5720(13) . ?
Ba6 Se8 3.5823(13) 1_565 ?
Ba6 Sn1 3.8813(16) 3_565 ?
Ba6 Sn1A 3.899(6) 3_565 ?
Ba6 Ba1 4.6589(10) 1_565 ?
Sn1 Sn1A 1.611(7) . ?
Sn1 Se9 2.4966(12) 2_535 ?
Sn1 Se11 2.5136(14) . ?
Sn1 Se2 2.5356(13) 3 ?
Sn1 Se7 2.5493(16) 3 ?
Sn1 Ba4 3.8639(12) 2 ?
Sn1 Ba6 3.8813(16) 3_565 ?
Sn1A Se9 2.479(5) 2_535 ?
Sn1A Se11 2.502(6) . ?
Sn1A Se2 2.578(5) 3 ?
Sn1A Se7 2.968(7) 3_565 ?
Sn1A Ba4 3.816(5) 2 ?
Sn1A Ba6 3.899(6) 3_565 ?
Sn1A Ba1 4.036(6) 3_565 ?
Ga1 Se5 2.3579(13) . ?
Ga1 Se4 2.3678(13) . ?
Ga1 Se8 2.3999(13) . ?
Ga1 Se1 2.4660(14) 2_645 ?
Ga1 Ba3 3.9072(13) 1_545 ?
Ga2 Se3 2.3670(13) 3_676 ?
Ga2 Se6 2.3675(13) 3_666 ?
Ga2 Se10 2.3814(14) 3_676 ?
Ga2 Se1 2.4955(13) 4_576 ?
Ga2 Ba3 3.7490(13) 3_676 ?
Se1 Ga1 2.4660(14) 2_655 ?
Se1 Ga2 2.4955(13) 4_575 ?
Se1 Ba5 3.7139(13) 2_655 ?
Se1 Ba5 3.7522(13) 2_645 ?
Se2 Sn1 2.5356(13) 3 ?
Se2 Sn1A 2.578(5) 3 ?
Se2 Ba6 3.3658(12) 1_545 ?
Se2 Ba1 3.4982(14) 3 ?
Se2 Ba1 3.6476(13) 1_545 ?
Se3 Ga2 2.3669(13) 3_676 ?
Se3 Ba2 3.4157(12) 3_676 ?
Se4 Ba4 3.3832(11) 1_565 ?
Se4 Ba3 3.4536(12) 1_545 ?
Se5 Ba5 3.2618(12) 1_545 ?
Se5 Ba3 3.4539(12) 1_545 ?
Se5 Ba6 3.4904(12) 1_545 ?
Se6 Ga2 2.3675(13) 3_666 ?
Se6 Ba3 3.2928(12) 1_545 ?
Se6 Ba2 3.4179(12) 3_666 ?
Se7 Sn1 2.5493(16) 3 ?
Se7 Sn1A 2.968(7) 3_565 ?
Se7 Ba4 3.2201(15) 3 ?
Se7 Ba3 3.2434(13) 4_575 ?
Se8 Ba2 3.2662(12) 2_645 ?
Se8 Ba3 3.5068(13) 4_575 ?
Se8 Ba6 3.5823(13) 1_545 ?
Se9 Sn1A 2.479(5) 2_565 ?
Se9 Sn1 2.4967(13) 2_565 ?
Se9 Ba6 3.2714(14) 4_586 ?
Se9 Ba4 3.2936(16) 1_575 ?
Se9 Ba3 3.7211(13) 1_565 ?
Se10 Ga2 2.3814(14) 3_676 ?
Se10 Ba6 3.1104(13) 2_655 ?
Se10 Ba5 3.3235(12) 2_655 ?
Se10 Ba2 3.6547(13) 3_676 ?
Se10 Ba2 3.7458(14) 1_565 ?
Se11 Ba4 3.3737(13) 2 ?
Se11 Ba4 3.7749(14) 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
Se7 Ba1 Se11 146.50(3) . . ?
Se7 Ba1 Se8 74.85(4) . . ?
Se11 Ba1 Se8 138.02(3) . . ?
Se7 Ba1 Se4 132.75(3) . . ?
Se11 Ba1 Se4 77.49(3) . . ?
Se8 Ba1 Se4 68.52(3) . . ?
Se7 Ba1 Se2 71.62(4) . 3 ?
Se11 Ba1 Se2 75.27(3) . 3 ?
Se8 Ba1 Se2 146.47(3) . 3 ?
Se4 Ba1 Se2 138.67(3) . 3 ?
Se7 Ba1 Se5 126.00(3) . . ?
Se11 Ba1 Se5 76.01(3) . . ?
Se8 Ba1 Se5 67.55(3) . . ?
Se4 Ba1 Se5 64.28(3) . . ?
Se2 Ba1 Se5 135.13(3) 3 . ?
Se7 Ba1 Ga1 115.23(4) . . ?
Se11 Ba1 Ga1 97.56(3) . . ?
Se8 Ba1 Ga1 40.50(2) . . ?
Se4 Ba1 Ga1 39.23(3) . . ?
Se2 Ba1 Ga1 172.42(3) 3 . ?
Se5 Ba1 Ga1 38.64(2) . . ?
Se7 Ba1 Se2 76.09(3) . . ?
Se11 Ba1 Se2 92.02(3) . . ?
Se8 Ba1 Se2 94.30(3) . . ?
Se4 Ba1 Se2 134.10(3) . . ?
Se2 Ba1 Se2 77.51(3) 3 . ?
Se5 Ba1 Se2 69.83(3) . . ?
Ga1 Ba1 Se2 100.57(2) . . ?
Se7 Ba1 Se2 85.34(3) . 1_565 ?
Se11 Ba1 Se2 94.92(3) . 1_565 ?
Se8 Ba1 Se2 96.11(2) . 1_565 ?
Se4 Ba1 Se2 70.38(3) . 1_565 ?
Se2 Ba1 Se2 81.61(3) 3 1_565 ?
Se5 Ba1 Se2 134.65(3) . 1_565 ?
Ga1 Ba1 Se2 101.74(2) . 1_565 ?
Se2 Ba1 Se2 155.51(3) . 1_565 ?
Se7 Ba1 Sn1A 110.18(8) . . ?
Se11 Ba1 Sn1A 39.11(8) . . ?
Se8 Ba1 Sn1A 169.18(10) . . ?
Se4 Ba1 Sn1A 102.07(9) . . ?
Se2 Ba1 Sn1A 39.88(8) 3 . ?
Se5 Ba1 Sn1A 113.98(8) . . ?
Ga1 Ba1 Sn1A 134.09(8) . . ?
Se2 Ba1 Sn1A 96.22(10) . . ?
Se2 Ba1 Sn1A 75.16(10) 1_565 . ?
Se7 Ba1 Sn1 107.82(4) . . ?
Se11 Ba1 Sn1 38.86(3) . . ?
Se8 Ba1 Sn1 165.80(3) . . ?
Se4 Ba1 Sn1 115.08(3) . . ?
Se2 Ba1 Sn1 38.81(2) 3 . ?
Se5 Ba1 Sn1 100.98(3) . . ?
Ga1 Ba1 Sn1 133.62(3) . . ?
Se2 Ba1 Sn1 73.29(2) . . ?
Se2 Ba1 Sn1 98.00(2) 1_565 . ?
Sn1A Ba1 Sn1 23.36(10) . . ?
Se7 Ba1 Sn1A 46.77(9) . 3_565 ?
Se11 Ba1 Sn1A 128.14(9) . 3_565 ?
Se8 Ba1 Sn1A 81.73(8) . 3_565 ?
Se4 Ba1 Sn1A 98.20(9) . 3_565 ?
Se2 Ba1 Sn1A 75.72(8) 3 3_565 ?
Se5 Ba1 Sn1A 148.35(8) . 3_565 ?
Ga1 Ba1 Sn1A 111.17(8) . 3_565 ?
Se2 Ba1 Sn1A 121.93(9) . 3_565 ?
Se2 Ba1 Sn1A 38.80(9) 1_565 3_565 ?
Sn1A Ba1 Sn1A 94.78(10) . 3_565 ?
Sn1 Ba1 Sn1A 110.49(8) . 3_565 ?
Se8 Ba2 Se6 144.05(3) 2_655 . ?
Se8 Ba2 Se3 144.26(3) 2_655 . ?
Se6 Ba2 Se3 60.47(3) . . ?
Se8 Ba2 Se3 75.26(3) 2_655 3_676 ?
Se6 Ba2 Se3 136.02(3) . 3_676 ?
Se3 Ba2 Se3 99.97(3) . 3_676 ?
Se8 Ba2 Se6 75.58(3) 2_655 3_666 ?
Se6 Ba2 Se6 99.35(3) . 3_666 ?
Se3 Ba2 Se6 135.73(3) . 3_666 ?
Se3 Ba2 Se6 66.21(3) 3_676 3_666 ?
Se8 Ba2 Se1 73.90(4) 2_655 . ?
Se6 Ba2 Se1 86.60(3) . . ?
Se3 Ba2 Se1 86.27(3) . . ?
Se3 Ba2 Se1 134.01(3) 3_676 . ?
Se6 Ba2 Se1 134.49(3) 3_666 . ?
Se8 Ba2 Se10 132.24(3) 2_655 3_676 ?
Se6 Ba2 Se10 71.15(3) . 3_676 ?
Se3 Ba2 Se10 71.07(3) . 3_676 ?
Se3 Ba2 Se10 65.09(3) 3_676 3_676 ?
Se6 Ba2 Se10 64.96(3) 3_666 3_676 ?
Se1 Ba2 Se10 153.86(3) . 3_676 ?
Se8 Ba2 Ga2 94.24(4) 2_655 . ?
Se6 Ba2 Ga2 103.73(3) . . ?
Se3 Ba2 Ga2 103.83(3) . . ?
Se3 Ba2 Ga2 38.90(2) 3_676 . ?
Se6 Ba2 Ga2 38.90(2) 3_666 . ?
Se1 Ba2 Ga2 168.13(3) . . ?
Se10 Ba2 Ga2 38.01(3) 3_676 . ?
Se8 Ba2 Se10 80.79(3) 2_655 . ?
Se6 Ba2 Se10 122.14(3) . . ?
Se3 Ba2 Se10 64.78(2) . . ?
Se3 Ba2 Se10 69.67(3) 3_676 . ?
Se6 Ba2 Se10 133.80(3) 3_666 . ?
Se1 Ba2 Se10 72.39(2) . . ?
Se10 Ba2 Se10 107.58(2) 3_676 . ?
Ga2 Ba2 Se10 105.98(2) . . ?
Se8 Ba2 Se10 80.75(2) 2_655 1_545 ?
Se6 Ba2 Se10 64.60(2) . 1_545 ?
Se3 Ba2 Se10 122.01(3) . 1_545 ?
Se3 Ba2 Se10 133.23(3) 3_676 1_545 ?
Se6 Ba2 Se10 69.24(3) 3_666 1_545 ?
Se1 Ba2 Se10 73.18(2) . 1_545 ?
Se10 Ba2 Se10 107.52(2) 3_676 1_545 ?
Ga2 Ba2 Se10 105.69(2) . 1_545 ?
Se10 Ba2 Se10 144.25(3) . 1_545 ?
Se8 Ba2 Ba2 115.27(3) 2_655 3_676 ?
Se6 Ba2 Ba2 100.58(3) . 3_676 ?
Se3 Ba2 Ba2 50.51(2) . 3_676 ?
Se3 Ba2 Ba2 49.46(2) 3_676 3_676 ?
Se6 Ba2 Ba2 103.67(3) 3_666 3_676 ?
Se1 Ba2 Ba2 119.61(3) . 3_676 ?
Se10 Ba2 Ba2 54.53(2) 3_676 3_676 ?
Ga2 Ba2 Ba2 64.83(2) . 3_676 ?
Se10 Ba2 Ba2 53.06(2) . 3_676 ?
Se10 Ba2 Ba2 161.04(2) 1_545 3_676 ?
Se8 Ba2 Ba2 115.08(3) 2_655 3_666 ?
Se6 Ba2 Ba2 50.43(2) . 3_666 ?
Se3 Ba2 Ba2 100.54(3) . 3_666 ?
Se3 Ba2 Ba2 103.57(3) 3_676 3_666 ?
Se6 Ba2 Ba2 48.92(2) 3_666 3_666 ?
Se1 Ba2 Ba2 120.14(3) . 3_666 ?
Se10 Ba2 Ba2 54.72(2) 3_676 3_666 ?
Ga2 Ba2 Ba2 64.75(2) . 3_666 ?
Se10 Ba2 Ba2 161.28(2) . 3_666 ?
Se10 Ba2 Ba2 52.80(2) 1_545 3_666 ?
Ba2 Ba2 Ba2 108.96(3) 3_676 3_666 ?
Se7 Ba3 Se6 128.57(3) 4_576 1_565 ?
Se7 Ba3 Se3 131.93(3) 4_576 . ?
Se6 Ba3 Se3 68.77(3) 1_565 . ?
Se7 Ba3 Se4 110.94(4) 4_576 1_565 ?
Se6 Ba3 Se4 80.98(3) 1_565 1_565 ?
Se3 Ba3 Se4 116.38(3) . 1_565 ?
Se7 Ba3 Se5 114.50(4) 4_576 1_565 ?
Se6 Ba3 Se5 115.74(3) 1_565 1_565 ?
Se3 Ba3 Se5 79.27(3) . 1_565 ?
Se4 Ba3 Se5 65.48(3) 1_565 1_565 ?
Se7 Ba3 Se8 71.44(4) 4_576 4_576 ?
Se6 Ba3 Se8 74.04(3) 1_565 4_576 ?
Se3 Ba3 Se8 73.43(3) . 4_576 ?
Se4 Ba3 Se8 147.49(3) 1_565 4_576 ?
Se5 Ba3 Se8 145.00(3) 1_565 4_576 ?
Se7 Ba3 Se9 70.22(3) 4_576 . ?
Se6 Ba3 Se9 68.92(3) 1_565 . ?
Se3 Ba3 Se9 135.79(3) . . ?
Se4 Ba3 Se9 68.30(3) 1_565 . ?
Se5 Ba3 Se9 131.67(3) 1_565 . ?
Se8 Ba3 Se9 83.30(3) 4_576 . ?
Se7 Ba3 Se9 75.75(3) 4_576 1_545 ?
Se6 Ba3 Se9 134.58(3) 1_565 1_545 ?
Se3 Ba3 Se9 67.68(3) . 1_545 ?
Se4 Ba3 Se9 130.60(3) 1_565 1_545 ?
Se5 Ba3 Se9 67.56(3) 1_565 1_545 ?
Se8 Ba3 Se9 81.88(3) 4_576 1_545 ?
Se9 Ba3 Se9 145.68(3) . 1_545 ?
Se7 Ba3 Ga2 160.12(3) 4_576 3_676 ?
Se6 Ba3 Ga2 38.61(2) 1_565 3_676 ?
Se3 Ba3 Ga2 38.54(2) . 3_676 ?
Se4 Ba3 Ga2 84.27(3) 1_565 3_676 ?
Se5 Ba3 Ga2 83.04(3) 1_565 3_676 ?
Se8 Ba3 Ga2 88.84(4) 4_576 3_676 ?
Se9 Ba3 Ga2 105.86(2) . 3_676 ?
Se9 Ba3 Ga2 104.59(2) 1_545 3_676 ?
Se7 Ba3 Ga1 135.11(4) 4_576 1_565 ?
Se6 Ba3 Ga1 84.64(3) 1_565 1_565 ?
Se3 Ba3 Ga1 84.31(3) . 1_565 ?
Se4 Ba3 Ga1 36.88(2) 1_565 1_565 ?
Se5 Ba3 Ga1 36.71(2) 1_565 1_565 ?
Se8 Ba3 Ga1 153.45(3) 4_576 1_565 ?
Se9 Ba3 Ga1 103.89(2) . 1_565 ?
Se9 Ba3 Ga1 103.17(2) 1_545 1_565 ?
Ga2 Ba3 Ga1 64.63(3) 3_676 1_565 ?
Se7 Ba4 Se9 143.79(3) 3 1_535 ?
Se7 Ba4 Se5 134.30(3) 3 . ?
Se9 Ba4 Se5 74.11(3) 1_535 . ?
Se7 Ba4 Se11 67.11(3) 3 2_545 ?
Se9 Ba4 Se11 76.77(3) 1_535 2_545 ?
Se5 Ba4 Se11 139.32(3) . 2_545 ?
Se7 Ba4 Se4 135.28(3) 3 1_545 ?
Se9 Ba4 Se4 74.30(3) 1_535 1_545 ?
Se5 Ba4 Se4 60.27(3) . 1_545 ?
Se11 Ba4 Se4 135.51(3) 2_545 1_545 ?
Se7 Ba4 Se2 72.26(4) 3 . ?
Se9 Ba4 Se2 143.95(3) 1_535 . ?
Se5 Ba4 Se2 75.09(4) . . ?
Se11 Ba4 Se2 139.18(3) 2_545 . ?
Se4 Ba4 Se2 74.43(3) 1_545 . ?
Se7 Ba4 Se11 74.48(3) 3 . ?
Se9 Ba4 Se11 98.78(3) 1_535 . ?
Se5 Ba4 Se11 74.94(3) . . ?
Se11 Ba4 Se11 82.20(2) 2_545 . ?
Se4 Ba4 Se11 134.98(3) 1_545 . ?
Se2 Ba4 Se11 90.84(3) . . ?
Se7 Ba4 Se11 79.25(3) 3 1_545 ?
Se9 Ba4 Se11 96.74(3) 1_535 1_545 ?
Se5 Ba4 Se11 131.99(3) . 1_545 ?
Se11 Ba4 Se11 78.92(2) 2_545 1_545 ?
Se4 Ba4 Se11 71.82(2) 1_545 1_545 ?
Se2 Ba4 Se11 90.13(3) . 1_545 ?
Se11 Ba4 Se11 152.05(3) . 1_545 ?
Se7 Ba4 Sn1A 104.63(9) 3 2_545 ?
Se9 Ba4 Sn1A 39.97(8) 1_535 2_545 ?
Se5 Ba4 Sn1A 101.60(10) . 2_545 ?
Se11 Ba4 Sn1A 40.13(9) 2_545 2_545 ?
Se4 Ba4 Sn1A 113.02(9) 1_545 2_545 ?
Se2 Ba4 Sn1A 169.38(10) . 2_545 ?
Se11 Ba4 Sn1A 78.54(10) . 2_545 ?
Se11 Ba4 Sn1A 99.33(10) 1_545 2_545 ?
Se7 Ba4 Sn1 105.68(4) 3 2_545 ?
Se9 Ba4 Sn1 39.84(2) 1_535 2_545 ?
Se5 Ba4 Sn1 113.34(4) . 2_545 ?
Se11 Ba4 Sn1 39.92(3) 2_545 2_545 ?
Se4 Ba4 Sn1 99.53(3) 1_545 2_545 ?
Se2 Ba4 Sn1 165.97(3) . 2_545 ?
Se11 Ba4 Sn1 102.07(2) . 2_545 ?
Se11 Ba4 Sn1 75.90(2) 1_545 2_545 ?
Sn1A Ba4 Sn1 24.20(10) 2_545 2_545 ?
Se7 Ba4 Ba1 84.20(3) 3 . ?
Se9 Ba4 Ba1 116.49(2) 1_535 . ?
Se5 Ba4 Ba1 50.30(2) . . ?
Se11 Ba4 Ba1 125.58(3) 2_545 . ?
Se4 Ba4 Ba1 97.60(3) 1_545 . ?
Se2 Ba4 Ba1 51.46(2) . . ?
Se11 Ba4 Ba1 44.90(2) . . ?
Se11 Ba4 Ba1 141.37(2) 1_545 . ?
Sn1A Ba4 Ba1 118.63(10) 2_545 . ?
Sn1 Ba4 Ba1 142.57(2) 2_545 . ?
Se7 Ba4 Ba1 87.31(3) 3 1_545 ?
Se9 Ba4 Ba1 114.84(3) 1_535 1_545 ?
Se5 Ba4 Ba1 96.44(3) . 1_545 ?
Se11 Ba4 Ba1 121.55(3) 2_545 1_545 ?
Se4 Ba4 Ba1 48.29(2) 1_545 1_545 ?
Se2 Ba4 Ba1 51.25(2) . 1_545 ?
Se11 Ba4 Ba1 141.76(2) . 1_545 ?
Se11 Ba4 Ba1 44.029(19) 1_545 1_545 ?
Sn1A Ba4 Ba1 139.34(10) 2_545 1_545 ?
Sn1 Ba4 Ba1 115.28(2) 2_545 1_545 ?
Ba1 Ba4 Ba1 100.95(2) . 1_545 ?
Se3 Ba5 Se6 63.46(3) . . ?
Se3 Ba5 Se5 83.76(4) . 1_565 ?
Se6 Ba5 Se5 116.45(3) . 1_565 ?
Se3 Ba5 Se4 116.12(3) . . ?
Se6 Ba5 Se4 84.85(4) . . ?
Se5 Ba5 Se4 62.05(3) 1_565 . ?
Se3 Ba5 Se10 144.96(3) . 2_645 ?
Se6 Ba5 Se10 144.44(3) . 2_645 ?
Se5 Ba5 Se10 92.60(3) 1_565 2_645 ?
Se4 Ba5 Se10 92.05(3) . 2_645 ?
Se3 Ba5 Se1 89.98(4) . . ?
Se6 Ba5 Se1 89.95(4) . . ?
Se5 Ba5 Se1 145.80(3) 1_565 . ?
Se4 Ba5 Se1 147.00(3) . . ?
Se10 Ba5 Se1 73.70(4) 2_645 . ?
Se3 Ba5 Se1 133.05(3) . 2_645 ?
Se6 Ba5 Se1 71.35(3) . 2_645 ?
Se5 Ba5 Se1 129.62(3) 1_565 2_645 ?
Se4 Ba5 Se1 69.90(2) . 2_645 ?
Se10 Ba5 Se1 74.33(3) 2_645 2_645 ?
Se1 Ba5 Se1 77.55(2) . 2_645 ?
Se3 Ba5 Se1 71.24(3) . 2_655 ?
Se6 Ba5 Se1 132.78(3) . 2_655 ?
Se5 Ba5 Se1 69.11(2) 1_565 2_655 ?
Se4 Ba5 Se1 128.69(3) . 2_655 ?
Se10 Ba5 Se1 74.91(3) 2_645 2_655 ?
Se1 Ba5 Se1 77.02(2) . 2_655 ?
Se1 Ba5 Se1 144.42(3) 2_645 2_655 ?
Se3 Ba5 Ba6 137.05(2) . . ?
Se6 Ba5 Ba6 137.19(2) . . ?
Se5 Ba5 Ba6 53.77(3) 1_565 . ?
Se4 Ba5 Ba6 52.95(3) . . ?
Se10 Ba5 Ba6 46.85(2) 2_645 . ?
Se1 Ba5 Ba6 120.55(3) . . ?
Se1 Ba5 Ba6 85.810(19) 2_645 . ?
Se1 Ba5 Ba6 86.084(19) 2_655 . ?
Se3 Ba5 Ba2 49.00(2) . . ?
Se6 Ba5 Ba2 48.62(2) . . ?
Se5 Ba5 Ba2 132.75(3) 1_565 . ?
Se4 Ba5 Ba2 133.47(3) . . ?
Se10 Ba5 Ba2 124.39(3) 2_645 . ?
Se1 Ba5 Ba2 50.70(3) . . ?
Se1 Ba5 Ba2 91.406(19) 2_645 . ?
Se1 Ba5 Ba2 91.414(19) 2_655 . ?
Ba6 Ba5 Ba2 171.242(16) . . ?
Se10 Ba6 Se9 118.92(4) 2_645 4_585 ?
Se10 Ba6 Se2 164.20(3) 2_645 1_565 ?
Se9 Ba6 Se2 76.86(4) 4_585 1_565 ?
Se10 Ba6 Se4 92.78(4) 2_645 . ?
Se9 Ba6 Se4 137.39(3) 4_585 . ?
Se2 Ba6 Se4 74.06(3) 1_565 . ?
Se10 Ba6 Se5 92.14(4) 2_645 1_565 ?
Se9 Ba6 Se5 138.63(3) 4_585 1_565 ?
Se2 Ba6 Se5 73.60(3) 1_565 1_565 ?
Se4 Ba6 Se5 58.17(3) . 1_565 ?
Se10 Ba6 Se8 85.38(3) 2_645 . ?
Se9 Ba6 Se8 87.54(3) 4_585 . ?
Se2 Ba6 Se8 96.82(3) 1_565 . ?
Se4 Ba6 Se8 66.05(2) . . ?
Se5 Ba6 Se8 123.97(3) 1_565 . ?
Se10 Ba6 Se8 85.52(3) 2_645 1_565 ?
Se9 Ba6 Se8 88.90(3) 4_585 1_565 ?
Se2 Ba6 Se8 94.41(3) 1_565 1_565 ?
Se4 Ba6 Se8 123.54(3) . 1_565 ?
Se5 Ba6 Se8 65.50(2) 1_565 1_565 ?
Se8 Ba6 Se8 167.11(3) . 1_565 ?
Se10 Ba6 Sn1 153.97(3) 2_645 3_565 ?
Se9 Ba6 Sn1 39.72(3) 4_585 3_565 ?
Se2 Ba6 Sn1 40.17(2) 1_565 3_565 ?
Se4 Ba6 Sn1 113.25(3) . 3_565 ?
Se5 Ba6 Sn1 101.50(3) 1_565 3_565 ?
Se8 Ba6 Sn1 104.50(2) . 3_565 ?
Se8 Ba6 Sn1 80.27(2) 1_565 3_565 ?
Se10 Ba6 Sn1A 154.19(9) 2_645 3_565 ?
Se9 Ba6 Sn1A 39.24(8) 4_585 3_565 ?
Se2 Ba6 Sn1A 40.74(8) 1_565 3_565 ?
Se4 Ba6 Sn1A 101.20(8) . 3_565 ?
Se5 Ba6 Sn1A 113.66(9) 1_565 3_565 ?
Se8 Ba6 Sn1A 80.74(10) . 3_565 ?
Se8 Ba6 Sn1A 104.05(10) 1_565 3_565 ?
Sn1 Ba6 Sn1A 23.90(10) 3_565 3_565 ?
Se10 Ba6 Ba5 51.22(3) 2_645 . ?
Se9 Ba6 Ba5 170.13(2) 4_585 . ?
Se2 Ba6 Ba5 113.01(3) 1_565 . ?
Se4 Ba6 Ba5 49.45(2) . . ?
Se5 Ba6 Ba5 48.93(2) 1_565 . ?
Se8 Ba6 Ba5 90.82(2) . . ?
Se8 Ba6 Ba5 90.58(2) 1_565 . ?
Sn1 Ba6 Ba5 149.61(2) 3_565 . ?
Sn1A Ba6 Ba5 149.80(8) 3_565 . ?
Se10 Ba6 Ba1 124.76(3) 2_645 . ?
Se9 Ba6 Ba1 88.56(3) 4_585 . ?
Se2 Ba6 Ba1 52.11(2) 1_565 . ?
Se4 Ba6 Ba1 48.92(2) . . ?
Se5 Ba6 Ba1 95.44(3) 1_565 . ?
Se8 Ba6 Ba1 46.256(19) . . ?
Se8 Ba6 Ba1 146.02(2) 1_565 . ?
Sn1 Ba6 Ba1 76.29(2) 3_565 . ?
Sn1A Ba6 Ba1 56.27(9) 3_565 . ?
Ba5 Ba6 Ba1 97.32(2) . . ?
Se10 Ba6 Ba1 124.09(3) 2_645 1_565 ?
Se9 Ba6 Ba1 89.64(3) 4_585 1_565 ?
Se2 Ba6 Ba1 50.66(2) 1_565 1_565 ?
Se4 Ba6 Ba1 95.28(3) . 1_565 ?
Se5 Ba6 Ba1 49.13(2) 1_565 1_565 ?
Se8 Ba6 Ba1 146.98(2) . 1_565 ?
Se8 Ba6 Ba1 45.292(19) 1_565 1_565 ?
Sn1 Ba6 Ba1 56.353(17) 3_565 1_565 ?
Sn1A Ba6 Ba1 76.45(10) 3_565 1_565 ?
Ba5 Ba6 Ba1 96.99(2) . 1_565 ?
Ba1 Ba6 Ba1 100.81(2) . 1_565 ?
Sn1A Sn1 Se9 70.53(19) . 2_535 ?
Sn1A Sn1 Se11 70.9(2) . . ?
Se9 Sn1 Se11 111.47(4) 2_535 . ?
Sn1A Sn1 Se2 73.07(18) . 3 ?
Se9 Sn1 Se2 110.15(5) 2_535 3 ?
Se11 Sn1 Se2 109.59(5) . 3 ?
Sn1A Sn1 Se7 175.17(19) . 3 ?
Se9 Sn1 Se7 105.75(4) 2_535 3 ?
Se11 Sn1 Se7 108.38(4) . 3 ?
Se2 Sn1 Se7 111.45(4) 3 3 ?
Sn1A Sn1 Ba4 76.25(18) . 2 ?
Se9 Sn1 Ba4 57.68(4) 2_535 2 ?
Se11 Sn1 Ba4 59.48(3) . 2 ?
Se2 Sn1 Ba4 149.32(4) 3 2 ?
Se7 Sn1 Ba4 99.20(3) 3 2 ?
Sn1A Sn1 Ba6 78.7(2) . 3_565 ?
Se9 Sn1 Ba6 56.86(3) 2_535 3_565 ?
Se11 Sn1 Ba6 149.54(4) . 3_565 ?
Se2 Sn1 Ba6 58.91(3) 3 3_565 ?
Se7 Sn1 Ba6 102.03(3) 3 3_565 ?
Ba4 Sn1 Ba6 114.35(3) 2 3_565 ?
Sn1A Sn1 Ba1 76.76(19) . . ?
Se9 Sn1 Ba1 147.27(4) 2_535 . ?
Se11 Sn1 Ba1 54.22(3) . . ?
Se2 Sn1 Ba1 59.84(4) 3 . ?
Se7 Sn1 Ba1 106.82(3) 3 . ?
Ba4 Sn1 Ba1 113.29(3) 2 . ?
Ba6 Sn1 Ba1 118.16(3) 3_565 . ?
Sn1 Sn1A Se9 71.7(2) . 2_535 ?
Sn1 Sn1A Se11 71.7(2) . . ?
Se9 Sn1A Se11 112.4(2) 2_535 . ?
Sn1 Sn1A Se2 70.2(2) . 3 ?
Se9 Sn1A Se2 109.3(2) 2_535 3 ?
Se11 Sn1A Se2 108.6(2) . 3 ?
Sn1 Sn1A Se7 175.2(3) . 3_565 ?
Se9 Sn1A Se7 103.6(2) 2_535 3_565 ?
Se11 Sn1A Se7 109.8(2) . 3_565 ?
Se2 Sn1A Se7 113.1(2) 3 3_565 ?
Sn1 Sn1A Ba4 79.55(19) . 2 ?
Se9 Sn1A Ba4 58.58(10) 2_535 2 ?
Se11 Sn1A Ba4 60.36(11) . 2 ?
Se2 Sn1A Ba4 149.8(2) 3 2 ?
Se7 Sn1A Ba4 97.08(15) 3_565 2 ?
Sn1 Sn1A Ba6 77.4(2) . 3_565 ?
Se9 Sn1A Ba6 56.58(11) 2_535 3_565 ?
Se11 Sn1A Ba6 149.1(2) . 3_565 ?
Se2 Sn1A Ba6 58.44(11) 3 3_565 ?
Se7 Sn1A Ba6 101.13(16) 3_565 3_565 ?
Ba4 Sn1A Ba6 115.02(13) 2 3_565 ?
Sn1 Sn1A Ba1 79.9(2) . . ?
Se9 Sn1A Ba1 151.5(2) 2_535 . ?
Se11 Sn1A Ba1 55.04(11) . . ?
Se2 Sn1A Ba1 60.47(11) 3 . ?
Se7 Sn1A Ba1 104.75(15) 3_565 . ?
Ba4 Sn1A Ba1 115.39(14) 2 . ?
Ba6 Sn1A Ba1 118.82(14) 3_565 . ?
Sn1 Sn1A Ba1 131.6(2) . 3_565 ?
Se9 Sn1A Ba1 114.74(19) 2_535 3_565 ?
Se11 Sn1A Ba1 132.10(18) . 3_565 ?
Se2 Sn1A Ba1 62.44(11) 3 3_565 ?
Se7 Sn1A Ba1 51.00(9) 3_565 3_565 ?
Ba4 Sn1A Ba1 146.90(18) 2 3_565 ?
Ba6 Sn1A Ba1 70.25(9) 3_565 3_565 ?
Ba1 Sn1A Ba1 85.22(10) . 3_565 ?
Se5 Ga1 Se4 104.47(5) . . ?
Se5 Ga1 Se8 107.09(5) . . ?
Se4 Ga1 Se8 106.81(5) . . ?
Se5 Ga1 Se1 111.96(5) . 2_645 ?
Se4 Ga1 Se1 112.70(5) . 2_645 ?
Se8 Ga1 Se1 113.24(5) . 2_645 ?
Se5 Ga1 Ba1 70.10(3) . . ?
Se4 Ga1 Ba1 68.01(3) . . ?
Se8 Ga1 Ba1 64.13(4) . . ?
Se1 Ga1 Ba1 177.25(4) 2_645 . ?
Se5 Ga1 Ba3 61.13(3) . 1_545 ?
Se4 Ga1 Ba3 61.09(3) . 1_545 ?
Se8 Ga1 Ba3 156.34(4) . 1_545 ?
Se1 Ga1 Ba3 90.43(4) 2_645 1_545 ?
Ba1 Ga1 Ba3 92.21(3) . 1_545 ?
Se3 Ga2 Se6 104.06(5) 3_676 3_666 ?
Se3 Ga2 Se10 106.66(5) 3_676 3_676 ?
Se6 Ga2 Se10 106.42(5) 3_666 3_676 ?
Se3 Ga2 Se1 113.99(5) 3_676 4_576 ?
Se6 Ga2 Se1 113.16(5) 3_666 4_576 ?
Se10 Ga2 Se1 111.89(5) 3_676 4_576 ?
Se3 Ga2 Ba2 64.99(3) 3_676 . ?
Se6 Ga2 Ba2 65.05(3) 3_666 . ?
Se10 Ga2 Ba2 70.91(4) 3_676 . ?
Se1 Ga2 Ba2 177.16(4) 4_576 . ?
Se3 Ga2 Ba3 60.78(3) 3_676 3_676 ?
Se6 Ga2 Ba3 60.22(3) 3_666 3_676 ?
Se10 Ga2 Ba3 154.40(4) 3_676 3_676 ?
Se1 Ga2 Ba3 93.70(4) 4_576 3_676 ?
Ba2 Ga2 Ba3 83.50(4) . 3_676 ?
Ga1 Se1 Ga2 111.24(5) 2_655 4_575 ?
Ga1 Se1 Ba5 163.48(4) 2_655 . ?
Ga2 Se1 Ba5 85.27(4) 4_575 . ?
Ga1 Se1 Ba2 83.43(4) 2_655 . ?
Ga2 Se1 Ba2 165.31(4) 4_575 . ?
Ba5 Se1 Ba2 80.06(4) . . ?
Ga1 Se1 Ba5 81.46(3) 2_655 2_655 ?
Ga2 Se1 Ba5 79.36(3) 4_575 2_655 ?
Ba5 Se1 Ba5 103.11(3) . 2_655 ?
Ba2 Se1 Ba5 104.70(3) . 2_655 ?
Ga1 Se1 Ba5 81.20(3) 2_655 2_645 ?
Ga2 Se1 Ba5 78.38(3) 4_575 2_645 ?
Ba5 Se1 Ba5 102.32(3) . 2_645 ?
Ba2 Se1 Ba5 103.87(3) . 2_645 ?
Ba5 Se1 Ba5 144.42(3) 2_655 2_645 ?
Sn1 Se2 Sn1A 36.71(15) 3 3 ?
Sn1 Se2 Ba6 80.92(4) 3 1_545 ?
Sn1A Se2 Ba6 80.82(12) 3 1_545 ?
Sn1 Se2 Ba4 162.37(4) 3 . ?
Sn1A Se2 Ba4 160.74(15) 3 . ?
Ba6 Se2 Ba4 97.82(4) 1_545 . ?
Sn1 Se2 Ba1 81.35(4) 3 3 ?
Sn1A Se2 Ba1 79.66(13) 3 3 ?
Ba6 Se2 Ba1 160.16(3) 1_545 3 ?
Ba4 Se2 Ba1 101.77(4) . 3 ?
Sn1 Se2 Ba1 81.08(3) 3 . ?
Sn1A Se2 Ba1 117.37(14) 3 . ?
Ba6 Se2 Ba1 83.47(2) 1_545 . ?
Ba4 Se2 Ba1 81.31(2) . . ?
Ba1 Se2 Ba1 102.49(3) 3 . ?
Sn1 Se2 Ba1 114.89(4) 3 1_545 ?
Sn1A Se2 Ba1 78.76(15) 3 1_545 ?
Ba6 Se2 Ba1 81.15(2) 1_545 1_545 ?
Ba4 Se2 Ba1 82.05(2) . 1_545 ?
Ba1 Se2 Ba1 98.39(3) 3 1_545 ?
Ba1 Se2 Ba1 155.51(3) . 1_545 ?
Ga2 Se3 Ba5 92.39(4) 3_676 . ?
Ga2 Se3 Ba3 80.68(4) 3_676 . ?
Ba5 Se3 Ba3 100.39(4) . . ?
Ga2 Se3 Ba2 96.87(4) 3_676 . ?
Ba5 Se3 Ba2 84.94(3) . . ?
Ba3 Se3 Ba2 174.18(3) . . ?
Ga2 Se3 Ba2 76.10(4) 3_676 3_676 ?
Ba5 Se3 Ba2 159.72(3) . 3_676 ?
Ba3 Se3 Ba2 94.23(4) . 3_676 ?
Ba2 Se3 Ba2 80.03(3) . 3_676 ?
Ga1 Se4 Ba5 92.81(4) . . ?
Ga1 Se4 Ba4 155.90(4) . 1_565 ?
Ba5 Se4 Ba4 111.24(3) . 1_565 ?
Ga1 Se4 Ba6 89.77(4) . . ?
Ba5 Se4 Ba6 77.60(3) . . ?
Ba4 Se4 Ba6 96.63(3) 1_565 . ?
Ga1 Se4 Ba3 82.03(4) . 1_545 ?
Ba5 Se4 Ba3 94.78(4) . 1_545 ?
Ba4 Se4 Ba3 94.07(3) 1_565 1_545 ?
Ba6 Se4 Ba3 168.57(3) . 1_545 ?
Ga1 Se4 Ba1 72.76(4) . . ?
Ba5 Se4 Ba1 155.53(3) . . ?
Ba4 Se4 Ba1 85.02(3) 1_565 . ?
Ba6 Se4 Ba1 82.58(3) . . ?
Ba3 Se4 Ba1 102.40(3) 1_545 . ?
Ga1 Se5 Ba5 94.22(4) . 1_545 ?
Ga1 Se5 Ba4 152.76(4) . . ?
Ba5 Se5 Ba4 113.00(3) 1_545 . ?
Ga1 Se5 Ba3 82.16(4) . 1_545 ?
Ba5 Se5 Ba3 96.53(4) 1_545 1_545 ?
Ba4 Se5 Ba3 93.31(3) . 1_545 ?
Ga1 Se5 Ba6 90.00(4) . 1_545 ?
Ba5 Se5 Ba6 77.30(3) 1_545 1_545 ?
Ba4 Se5 Ba6 96.70(3) . 1_545 ?
Ba3 Se5 Ba6 169.69(3) 1_545 1_545 ?
Ga1 Se5 Ba1 71.25(3) . . ?
Ba5 Se5 Ba1 155.43(3) 1_545 . ?
Ba4 Se5 Ba1 83.39(3) . . ?
Ba3 Se5 Ba1 100.79(3) 1_545 . ?
Ba6 Se5 Ba1 82.85(3) 1_545 . ?
Ga2 Se6 Ba5 92.55(4) 3_666 . ?
Ga2 Se6 Ba3 81.17(4) 3_666 1_545 ?
Ba5 Se6 Ba3 99.37(4) . 1_545 ?
Ga2 Se6 Ba2 97.60(4) 3_666 . ?
Ba5 Se6 Ba2 85.24(3) . . ?
Ba3 Se6 Ba2 175.26(3) 1_545 . ?
Ga2 Se6 Ba2 76.05(4) 3_666 3_666 ?
Ba5 Se6 Ba2 160.41(3) . 3_666 ?
Ba3 Se6 Ba2 94.61(4) 1_545 3_666 ?
Ba2 Se6 Ba2 80.65(3) . 3_666 ?
Sn1 Se7 Sn1A 170.60(11) 3 3_565 ?
Sn1 Se7 Ba1 90.75(4) 3 . ?
Sn1A Se7 Ba1 82.22(10) 3_565 . ?
Sn1 Se7 Ba4 90.73(4) 3 3 ?
Sn1A Se7 Ba4 86.47(11) 3_565 3 ?
Ba1 Se7 Ba4 114.01(4) . 3 ?
Sn1 Se7 Ba3 97.11(4) 3 4_575 ?
Sn1A Se7 Ba3 91.31(11) 3_565 4_575 ?
Ba1 Se7 Ba3 111.64(4) . 4_575 ?
Ba4 Se7 Ba3 133.50(4) 3 4_575 ?
Ga1 Se8 Ba2 89.44(5) . 2_645 ?
Ga1 Se8 Ba1 75.37(4) . . ?
Ba2 Se8 Ba1 164.78(3) 2_645 . ?
Ga1 Se8 Ba3 177.11(4) . 4_575 ?
Ba2 Se8 Ba3 93.42(4) 2_645 4_575 ?
Ba1 Se8 Ba3 101.78(4) . 4_575 ?
Ga1 Se8 Ba6 86.39(4) . . ?
Ba2 Se8 Ba6 95.50(3) 2_645 . ?
Ba1 Se8 Ba6 82.84(2) . . ?
Ba3 Se8 Ba6 93.68(3) 4_575 . ?
Ga1 Se8 Ba6 87.17(4) . 1_545 ?
Ba2 Se8 Ba6 95.58(3) 2_645 1_545 ?
Ba1 Se8 Ba6 84.74(2) . 1_545 ?
Ba3 Se8 Ba6 92.20(3) 4_575 1_545 ?
Ba6 Se8 Ba6 167.11(3) . 1_545 ?
Sn1A Se9 Sn1 37.77(16) 2_565 2_565 ?
Sn1A Se9 Ba6 84.18(12) 2_565 4_586 ?
Sn1 Se9 Ba6 83.42(4) 2_565 4_586 ?
Sn1A Se9 Ba4 81.45(12) 2_565 1_575 ?
Sn1 Se9 Ba4 82.48(4) 2_565 1_575 ?
Ba6 Se9 Ba4 164.95(3) 4_586 1_575 ?
Sn1A Se9 Ba3 124.63(16) 2_565 . ?
Sn1 Se9 Ba3 86.91(4) 2_565 . ?
Ba6 Se9 Ba3 93.68(3) 4_586 . ?
Ba4 Se9 Ba3 90.83(3) 1_575 . ?
Sn1A Se9 Ba3 89.30(16) 2_565 1_565 ?
Sn1 Se9 Ba3 127.05(4) 2_565 1_565 ?
Ba6 Se9 Ba3 94.99(3) 4_586 1_565 ?
Ba4 Se9 Ba3 89.30(3) 1_575 1_565 ?
Ba3 Se9 Ba3 145.68(3) . 1_565 ?
Ga2 Se10 Ba6 171.06(4) 3_676 2_655 ?
Ga2 Se10 Ba5 89.14(4) 3_676 2_655 ?
Ba6 Se10 Ba5 81.93(4) 2_655 2_655 ?
Ga2 Se10 Ba2 71.09(4) 3_676 3_676 ?
Ba6 Se10 Ba2 117.85(4) 2_655 3_676 ?
Ba5 Se10 Ba2 160.22(3) 2_655 3_676 ?
Ga2 Se10 Ba2 87.68(4) 3_676 . ?
Ba6 Se10 Ba2 95.25(3) 2_655 . ?
Ba5 Se10 Ba2 107.91(3) 2_655 . ?
Ba2 Se10 Ba2 72.42(2) 3_676 . ?
Ga2 Se10 Ba2 87.33(4) 3_676 1_565 ?
Ba6 Se10 Ba2 95.10(3) 2_655 1_565 ?
Ba5 Se10 Ba2 107.38(3) 2_655 1_565 ?
Ba2 Se10 Ba2 72.48(2) 3_676 1_565 ?
Ba2 Se10 Ba2 144.25(3) . 1_565 ?
Sn1A Se11 Sn1 37.47(15) . . ?
Sn1A Se11 Ba1 85.85(12) . . ?
Sn1 Se11 Ba1 86.91(4) . . ?
Sn1A Se11 Ba4 79.50(12) . 2 ?
Sn1 Se11 Ba4 80.60(3) . 2 ?
Ba1 Se11 Ba4 165.28(4) . 2 ?
Sn1A Se11 Ba4 121.14(16) . . ?
Sn1 Se11 Ba4 84.05(4) . . ?
Ba1 Se11 Ba4 84.64(2) . . ?
Ba4 Se11 Ba4 101.66(3) 2 . ?
Sn1A Se11 Ba4 82.36(15) . 1_565 ?
Sn1 Se11 Ba4 119.53(4) . 1_565 ?
Ba1 Se11 Ba4 82.14(2) . 1_565 ?
Ba4 Se11 Ba4 97.22(3) 2 1_565 ?
Ba4 Se11 Ba4 152.05(3) . 1_565 ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        31.47
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         3.556
_refine_diff_density_min         -2.261
_refine_diff_density_rms         0.374

