# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2016


#=======================================================================
data_global
#=======================================================================

_audit_creation_method                   'Jana2006 Version : 08/10/2015'


# 1. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic            ?
_journal_date_to_coeditor                ?
_journal_date_from_coeditor              ?
_journal_date_accepted                   ?
_journal_date_printers_first             ?
_journal_date_printers_final             ?
_journal_date_proofs_out                 ?
_journal_date_proofs_in                  ?
_journal_coeditor_name                   ?
_journal_coeditor_code                   ?
_journal_coeditor_notes
; ?
;
_journal_techeditor_code                 ?
_journal_paper_category                  ?
_journal_techeditor_notes
; ?
;
_journal_coden_ASTM                      ?
_journal_name_full                       'Acta Crystallographica Section C'
_journal_year                            ?
_journal_volume                          ?
_journal_issue                           ?
_journal_page_first                      ?
_journal_page_last                       ?
_journal_suppl_publ_number               ?
_journal_suppl_publ_pages                ?

#=======================================================================

# 2. SUBMISSION DETAILS

_publ_contact_author_name                ?
_publ_contact_author_address
; ?
;
_publ_contact_author_email               ?
_publ_contact_author_fax                 ?
_publ_contact_author_phone               ?

_publ_requested_journal                  'Acta Crystallographica Section C'
_publ_requested_category                 ?

_publ_contact_letter
; ?
;

#=======================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
; ?
;
_publ_section_title_footnote
; ?
;
loop_
 _publ_author_name
 _publ_author_footnote
 _publ_author_address
; ?      # name
;
; ?      # footnote
;
; ?      # address
;

#=======================================================================

# 4. TEXT

_publ_section_synopsis
; ?
;
_publ_section_abstract
; ?
;
_publ_section_comment
; ?
;
_publ_section_introduction
; ?
;
_publ_section_experimental
; ?
;
_publ_section_exptl_prep
; ?
;
_publ_section_exptl_refinement
; ?
;
_publ_section_exptl_solution
; ?
;
_publ_section_discussion
; ?
;
_publ_section_acknowledgements
; ?
;
_publ_section_references
;
Petricek, V., Dusek, M. & Palatinus L. (2014). Z. Kristallogr. 229(5), 345-352.

Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790.

# enable this reference if Diamond ver. 2 was used for visualization
#Brandenburg, K. (1999). DIAMOND. Version. 2.1c.
#Crystal Impact GbR, Bonn, Germany.

# enable this reference if Diamond ver. 3 was used for visualization
#Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3.
#Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany.

# enable this reference if SIR97 was used for solving of the structure
#Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C.,
#Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997).
#SIR97. A Package for Crystal Structure Solution by Direct Methods
#and Refinement, Bari, Rome, Italy.

# use this reference if SIR2002 was used for solving of the structure
#Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C.,
#Polidori, G., Spagna, R.
#SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103


# use this reference if SIR2011 was used for solving of the structure
#Burla, M.C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano,
#G.L., Giacovazzo, C., Mallamo. M., Mazzone, A., Polidori, G., Spagna, R.
#SIR2011: a new package for crystal structure determination and refinement,
#J.Appl.Cryst. (2012) 45, 357-361

# enable this reference if bond valences were calculated
#Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480.

# enable this reference if Xshape wase used for crystal shape refinement
#Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany.


# enable this reference if Flack coefficient was refined
#Flack, H. D. (1983). Acta Cryst. A39, 876-881.
;
_publ_section_figure_captions
; ?
;
_publ_section_table_legends
; ?
;

#=======================================================================
data_I
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
; ?
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Cs1 Ga1 S2'
_chemical_formula_weight                 266.7
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting                   monoclinic
_symmetry_space_group_name_H-M           'C 1 2/c 1'
_symmetry_space_group_name_Hall          '-C 2yc'
_symmetry_Int_Tables_number              15

loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1   x,y,z
 2   -x,y,-z+1/2
 3   -x,-y,-z
 4   x,-y,z+1/2
 5   x+1/2,y+1/2,z
 6   -x+1/2,y+1/2,-z+1/2
 7   -x+1/2,-y+1/2,-z
 8   x+1/2,-y+1/2,z+1/2

_cell_length_a                           10.5718(6)
_cell_length_b                           10.5708(6)
_cell_length_c                           16.0847(8)
_cell_angle_alpha                        90
_cell_angle_beta                         99.445(4)
_cell_angle_gamma                        90
_cell_volume                             1773.14(17)

loop_
 _twin_individual_id
 _twin_individual_mass_fraction_refined
 _twin_individual_twin_matrix_11
 _twin_individual_twin_matrix_12
 _twin_individual_twin_matrix_13
 _twin_individual_twin_matrix_21
 _twin_individual_twin_matrix_22
 _twin_individual_twin_matrix_23
 _twin_individual_twin_matrix_31
 _twin_individual_twin_matrix_32
 _twin_individual_twin_matrix_33
 ? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z                    16

_cell_measurement_reflns_used            3759
_cell_measurement_theta_min              3.54
_cell_measurement_theta_max              28.77
_cell_measurement_temperature            293.00(12)
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            3.9969
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     1888

_exptl_absorpt_coefficient_mu            14.892
_exptl_crystal_description               plate
_exptl_crystal_size_max                  0.085
_exptl_crystal_size_mid                  0.072
_exptl_crystal_size_min                  0.038
_exptl_crystal_size_rad                  ?
_exptl_crystal_colour                    colourless
_exptl_absorpt_correction_type           'analytical'
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.37b (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min          0.409
_exptl_absorpt_correction_T_max          0.661
loop_
 _exptl_crystal_face_index_h
 _exptl_crystal_face_index_k
 _exptl_crystal_face_index_l
 _exptl_crystal_face_perp_dist
 ? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details                   ?

_diffrn_ambient_temperature              293
_diffrn_source                           'micro-focus sealed X-ray tube'
_diffrn_source_power                     ?
_diffrn_source_voltage                   ?
_diffrn_source_current                   ?
_diffrn_radiation_type                   'Mo K\a'
_diffrn_radiation_source                 'X-ray tube'
_diffrn_radiation_wavelength             0.71073
_diffrn_radiation_monochromator          'mirror'
_diffrn_measurement_device               'four-circle diffractometer'
_diffrn_measurement_device_type          'SuperNova, Single source at offset, Eos'
_diffrn_detector                         'CCD plate'
_diffrn_detector_area_resol_mean         15.9702
_diffrn_measurement_method               'ω scans'
_diffrn_measurement_specimen_support     ?

_diffrn_reflns_number                    10492
_diffrn_reflns_theta_min                 3.16
_diffrn_reflns_theta_max                 28.9
_diffrn_reflns_theta_full                27.86
_diffrn_measured_fraction_theta_max      0.92
_diffrn_measured_fraction_theta_full     0.98
_diffrn_reflns_av_R_equivalents          0.0328
_diffrn_reflns_av_unetI/netI             0.0224
_diffrn_reflns_limit_h_min               -14
_diffrn_reflns_limit_h_max               14
_diffrn_reflns_limit_k_min               -14
_diffrn_reflns_limit_k_max               14
_diffrn_reflns_limit_l_min               -21
_diffrn_reflns_limit_l_max               20
_diffrn_reflns_reduction_process         ?

_diffrn_standards_number                 ?
_diffrn_standards_interval_count         ?
_diffrn_standards_interval_time          ?
_diffrn_standards_decay_%                ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
  ? ? ?

_diffrn_radiation_probe                  X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details
; ?
;

_reflns_number_total                     2137
_reflns_number_gt                        1376
_reflns_threshold_expression             'I>3σ(I)'

_refine_ls_structure_factor_coef         Fsqd
_refine_ls_R_factor_gt                   0.0223
_refine_ls_wR_factor_gt                  0.0482
_refine_ls_R_factor_all                  0.0397
_refine_ls_wR_factor_ref                 0.0578
_refine_ls_goodness_of_fit_ref           1.15
_refine_ls_goodness_of_fit_gt            1.20
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 2137
_refine_ls_number_parameters             75
_refine_ls_number_restraints             0
_refine_ls_number_constraints            0
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             'w=1/(σ²(I)+0.0004I²)'
_refine_ls_hydrogen_treatment            ?
_refine_ls_shift/su_max                  0.0000
_refine_ls_shift/su_mean                 0.0000
_refine_diff_density_max                 1.17
_refine_diff_density_min                 -0.75
_refine_ls_extinction_method
 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef               71(19)
_refine_ls_abs_structure_details         ?
_refine_ls_abs_structure_Flack           ?
_refine_ls_abs_structure_Rogers          ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 Cs  -0.3680  2.1192
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Ga   0.2307  1.6083
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 S    0.1246  0.1234
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection
 'CrysAlisPro 1.171.38.37b (Rigaku OD, 2015)'
_computing_cell_refinement
 'CrysAlisPro 1.171.38.37b (Rigaku OD, 2015)'
_computing_data_reduction
 'CrysAlisPro 1.171.38.37b (Rigaku OD, 2015)'
_computing_structure_solution            ?
_computing_structure_refinement          ?
_computing_molecular_graphics            ?
_computing_publication_material          ?

loop_
 _restr_distance_atom_site_label_1
 _restr_distance_site_symmetry_1
 _restr_distance_atom_site_label_2
 _restr_distance_site_symmetry_2
 _restr_distance_target
 _restr_distance_target_weight_param
 ? ? ? ? ? ?

loop_
 _restr_angle_atom_site_label_1
 _restr_angle_site_symmetry_1
 _restr_angle_atom_site_label_2
 _restr_angle_site_symmetry_2
 _restr_angle_atom_site_label_3
 _restr_angle_site_symmetry_3
 _restr_angle_target
 _restr_angle_target_weight_param
 ? ? ? ? ? ? ? ?

loop_
 _restr_torsion_atom_site_label_1
 _restr_torsion_site_symmetry_1
 _restr_torsion_atom_site_label_2
 _restr_torsion_site_symmetry_2
 _restr_torsion_atom_site_label_3
 _restr_torsion_site_symmetry_3
 _restr_torsion_atom_site_label_4
 _restr_torsion_site_symmetry_4
 _restr_torsion_angle_target
 _restr_torsion_weight_param
 ? ? ? ? ? ? ? ? ? ?

loop_
 _restr_equal_distance_atom_site_label_1
 _restr_equal_distance_site_symmetry_1
 _restr_equal_distance_atom_site_label_2
 _restr_equal_distance_site_symmetry_2
 _restr_equal_distance_class_class_id
 _restr_equal_distance_class_target_weight_param
 ? ? ? ? ? ?

loop_
 _restr_equal_angle_atom_site_label_1
 _restr_equal_angle_site_symmetry_1
 _restr_equal_angle_atom_site_label_2
 _restr_equal_angle_site_symmetry_2
 _restr_equal_angle_atom_site_label_3
 _restr_equal_angle_site_symmetry_3
 _restr_equal_angle_class_class_id
 _restr_equal_angle_class_target_weight_param
 ? ? ? ? ? ? ? ?

loop_
 _restr_equal_torsion_atom_site_label_1
 _restr_equal_torsion_site_symmetry_1
 _restr_equal_torsion_atom_site_label_2
 _restr_equal_torsion_site_symmetry_2
 _restr_equal_torsion_atom_site_label_3
 _restr_equal_torsion_site_symmetry_3
 _restr_equal_torsion_atom_site_label_4
 _restr_equal_torsion_site_symmetry_4
 _restr_equal_torsion_class_class_id
 _restr_equal_torsion_class_target_weight_param
 ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  Cs1 Cs 0.28713(3) 0.06211(4) 0.399713(18) Uani 0.01982(11) 8 1 d . . .
  Cs2 Cs 0.46288(3) 0.31264(4) 0.102634(17) Uani 0.01970(11) 8 1 d . . .
  Ga1 Ga 0.10387(4) 0.18917(5) 0.17193(3) Uani 0.01114(15) 8 1 d . . .
  Ga2 Ga 0.14268(4) 0.43566(5) 0.32833(3) Uani 0.01113(16) 8 1 d . . .
  Se1 S 0.04074(10) 0.31227(13) 0.41514(7) Uani 0.0129(3) 8 1 d . . .
  Se2 S 0.20974(9) 0.06275(13) 0.08896(7) Uani 0.0118(3) 8 1 d . . .
  Se3 S 0.25271(9) 0.31229(13) 0.25025(6) Uani 0.0124(4) 8 1 d . . .
  Se4 S 0 0.05982(17) 0.25 Uani 0.0129(5) 4 1 d . . .
  Se5 S 0 0.56490(17) 0.25 Uani 0.0132(5) 4 1 d . . .


loop_
 _jana_atom_site_ADP_C_label
 _jana_atom_site_ADP_C_type_symbol
 _jana_atom_site_ADP_C_111
 _jana_atom_site_ADP_C_112
 _jana_atom_site_ADP_C_113
 _jana_atom_site_ADP_C_122
 _jana_atom_site_ADP_C_123
 _jana_atom_site_ADP_C_133
 _jana_atom_site_ADP_C_222
 _jana_atom_site_ADP_C_223
 _jana_atom_site_ADP_C_233
 _jana_atom_site_ADP_C_333
 ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_D_label
 _jana_atom_site_ADP_D_type_symbol
 _jana_atom_site_ADP_D_1111
 _jana_atom_site_ADP_D_1112
 _jana_atom_site_ADP_D_1113
 _jana_atom_site_ADP_D_1122
 _jana_atom_site_ADP_D_1123
 _jana_atom_site_ADP_D_1133
 _jana_atom_site_ADP_D_1222
 _jana_atom_site_ADP_D_1223
 _jana_atom_site_ADP_D_1233
 _jana_atom_site_ADP_D_1333
 _jana_atom_site_ADP_D_2222
 _jana_atom_site_ADP_D_2223
 _jana_atom_site_ADP_D_2233
 _jana_atom_site_ADP_D_2333
 _jana_atom_site_ADP_D_3333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_E_label
 _jana_atom_site_ADP_E_type_symbol
 _jana_atom_site_ADP_E_11111
 _jana_atom_site_ADP_E_11112
 _jana_atom_site_ADP_E_11113
 _jana_atom_site_ADP_E_11122
 _jana_atom_site_ADP_E_11123
 _jana_atom_site_ADP_E_11133
 _jana_atom_site_ADP_E_11222
 _jana_atom_site_ADP_E_11223
 _jana_atom_site_ADP_E_11233
 _jana_atom_site_ADP_E_11333
 _jana_atom_site_ADP_E_12222
 _jana_atom_site_ADP_E_12223
 _jana_atom_site_ADP_E_12233
 _jana_atom_site_ADP_E_12333
 _jana_atom_site_ADP_E_13333
 _jana_atom_site_ADP_E_22222
 _jana_atom_site_ADP_E_22223
 _jana_atom_site_ADP_E_22233
 _jana_atom_site_ADP_E_22333
 _jana_atom_site_ADP_E_23333
 _jana_atom_site_ADP_E_33333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_F_label
 _jana_atom_site_ADP_F_type_symbol
 _jana_atom_site_ADP_F_111111
 _jana_atom_site_ADP_F_111112
 _jana_atom_site_ADP_F_111113
 _jana_atom_site_ADP_F_111122
 _jana_atom_site_ADP_F_111123
 _jana_atom_site_ADP_F_111133
 _jana_atom_site_ADP_F_111222
 _jana_atom_site_ADP_F_111223
 _jana_atom_site_ADP_F_111233
 _jana_atom_site_ADP_F_111333
 _jana_atom_site_ADP_F_112222
 _jana_atom_site_ADP_F_112223
 _jana_atom_site_ADP_F_112233
 _jana_atom_site_ADP_F_112333
 _jana_atom_site_ADP_F_113333
 _jana_atom_site_ADP_F_122222
 _jana_atom_site_ADP_F_122223
 _jana_atom_site_ADP_F_122233
 _jana_atom_site_ADP_F_122333
 _jana_atom_site_ADP_F_123333
 _jana_atom_site_ADP_F_133333
 _jana_atom_site_ADP_F_222222
 _jana_atom_site_ADP_F_222223
 _jana_atom_site_ADP_F_222233
 _jana_atom_site_ADP_F_222333
 _jana_atom_site_ADP_F_223333
 _jana_atom_site_ADP_F_233333
 _jana_atom_site_ADP_F_333333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_1
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
  Cs1 Cs1 . 3_656 5.2559(7) ?
  Cs1 Cs1 . 7_556 5.2569(6) ?
  Cs1 Cs2 . 2_655 3.7459(6) ?
  Cs1 Cs2 . 6_545 3.7295(6) ?
  Cs1 Cs2 . 4_555 5.2733(6) ?
  Cs1 Cs2 . 8_455 5.2753(6) ?
  Cs1 Ga1 . . 4.0807(7) ?
  Cs1 Ga1 . 2_555 4.3192(7) ?
  Cs1 Ga1 . 6_545 4.3165(8) ?
  Cs1 Ga2 . . 4.3206(7) ?
  Cs1 Ga2 . 5_545 4.3185(7) ?
  Cs1 Ga2 . 6_545 4.0847(7) ?
  Cs1 Ga2 . 7_556 4.3152(7) ?
  Cs1 Se1 . . 3.7485(13) ?
  Cs1 Se1 . 5_545 3.7426(13) ?
  Cs1 Se1 . 7_556 3.4878(12) ?
  Cs1 Se2 . 4_555 3.5348(12) ?
  Cs1 Se3 . . 3.5523(13) ?
  Cs1 Se3 . 6_545 3.5547(13) ?
  Cs1 Se4 . . 3.5517(5) ?
  Cs1 Se5 . 5_545 3.5556(4) ?
  Cs2 Cs2 . 2_655 4.6764(6) ?
  Cs2 Cs2 . 3_665 5.2969(6) ?
  Cs2 Cs2 . 7_555 5.2951(7) ?
  Cs2 Ga1 . . 4.3288(7) ?
  Cs2 Ga1 . 5_555 4.3314(8) ?
  Cs2 Ga1 . 7_555 4.3564(7) ?
  Cs2 Ga2 . 2_655 4.3351(7) ?
  Cs2 Ga2 . 6_545 4.3319(8) ?
  Cs2 Se1 . 8_554 3.5115(13) ?
  Cs2 Se2 . . 3.7410(12) ?
  Cs2 Se2 . 5_555 3.7466(13) ?
  Cs2 Se2 . 7_555 3.5660(11) ?
  Cs2 Se3 . . 3.5080(11) ?
  Cs2 Se3 . 2_655 3.5078(10) ?
  Cs2 Se4 . 5_555 3.5063(14) ?
  Cs2 Se5 . 5_545 3.5108(14) ?
  Ga1 Se1 . 2_555 2.2998(12) ?
  Ga1 Se2 . . 2.3042(13) ?
  Ga1 Se3 . . 2.2597(12) ?
  Ga1 Se4 . . 2.2595(12) ?
  Ga2 Se1 . . 2.3035(13) ?
  Ga2 Se2 . 6_555 2.3083(12) ?
  Ga2 Se3 . . 2.2606(13) ?
  Ga2 Se5 . . 2.2595(12) ?

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_2
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
  Cs1 Cs1 Cs1 3_656 . 7_556 90.640(7) ?
  Cs1 Cs1 Cs2 3_656 . 2_655 69.409(8) ?
  Cs1 Cs1 Cs2 3_656 . 6_545 111.324(10) ?
  Cs1 Cs1 Cs2 3_656 . 4_555 41.681(6) ?
  Cs1 Cs1 Cs2 3_656 . 8_455 105.121(8) ?
  Cs1 Cs1 Ga1 3_656 . . 149.990(11) ?
  Cs1 Cs1 Ga1 3_656 . 2_555 157.989(11) ?
  Cs1 Cs1 Ga1 3_656 . 6_545 72.330(8) ?
  Cs1 Cs1 Ga2 3_656 . . 128.403(10) ?
  Cs1 Cs1 Ga2 3_656 . 5_545 52.471(9) ?
  Cs1 Cs1 Ga2 3_656 . 6_545 101.888(10) ?
  Cs1 Cs1 Ga2 3_656 . 7_556 52.529(8) ?
  Cs1 Cs1 Se1 3_656 . . 132.066(18) ?
  Cs1 Cs1 Se1 3_656 . 5_545 41.497(17) ?
  Cs1 Cs1 Se1 3_656 . 7_556 45.31(2) ?
  Cs1 Cs1 Se2 3_656 . 4_555 70.976(17) ?
  Cs1 Cs1 Se3 3_656 . . 125.713(17) ?
  Cs1 Cs1 Se3 3_656 . 6_545 103.008(18) ?
  Cs1 Cs1 Se4 3_656 . . 164.79(3) ?
  Cs1 Cs1 Se5 3_656 . 5_545 81.048(11) ?
  Cs1 Cs1 Cs2 7_556 . 2_655 69.428(9) ?
  Cs1 Cs1 Cs2 7_556 . 6_545 111.318(10) ?
  Cs1 Cs1 Cs2 7_556 . 4_555 105.113(8) ?
  Cs1 Cs1 Cs2 7_556 . 8_455 41.668(6) ?
  Cs1 Cs1 Ga1 7_556 . . 101.864(11) ?
  Cs1 Cs1 Ga1 7_556 . 2_555 72.300(9) ?
  Cs1 Cs1 Ga1 7_556 . 6_545 158.007(10) ?
  Cs1 Cs1 Ga2 7_556 . . 52.455(9) ?
  Cs1 Cs1 Ga2 7_556 . 5_545 128.405(10) ?
  Cs1 Cs1 Ga2 7_556 . 6_545 149.975(12) ?
  Cs1 Cs1 Ga2 7_556 . 7_556 52.548(9) ?
  Cs1 Cs1 Se1 7_556 . . 41.491(17) ?
  Cs1 Cs1 Se1 7_556 . 5_545 132.071(18) ?
  Cs1 Cs1 Se1 7_556 . 7_556 45.40(2) ?
  Cs1 Cs1 Se2 7_556 . 4_555 71.02(2) ?
  Cs1 Cs1 Se3 7_556 . . 81.01(2) ?
  Cs1 Cs1 Se3 7_556 . 6_545 164.753(17) ?
  Cs1 Cs1 Se4 7_556 . . 102.95(2) ?
  Cs1 Cs1 Se5 7_556 . 5_545 125.75(3) ?
  Cs2 Cs1 Cs2 2_655 . 6_545 178.858(11) ?
  Cs2 Cs1 Cs2 2_655 . 4_555 111.090(9) ?
  Cs2 Cs1 Cs2 2_655 . 8_455 111.097(10) ?
  Cs2 Cs1 Ga1 2_655 . . 89.429(11) ?
  Cs2 Cs1 Ga1 2_655 . 2_555 115.046(13) ?
  Cs2 Cs1 Ga1 2_655 . 6_545 115.044(11) ?
  Cs2 Cs1 Ga2 2_655 . . 64.556(10) ?
  Cs2 Cs1 Ga2 2_655 . 5_545 64.525(10) ?
  Cs2 Cs1 Ga2 2_655 . 6_545 89.420(11) ?
  Cs2 Cs1 Ga2 2_655 . 7_556 90.120(10) ?
  Cs2 Cs1 Se1 2_655 . . 90.06(2) ?
  Cs2 Cs1 Se1 2_655 . 5_545 90.04(2) ?
  Cs2 Cs1 Se1 2_655 . 7_556 57.95(2) ?
  Cs2 Cs1 Se2 2_655 . 4_555 122.42(2) ?
  Cs2 Cs1 Se3 2_655 . . 57.381(17) ?
  Cs2 Cs1 Se3 2_655 . 6_545 121.57(2) ?
  Cs2 Cs1 Se4 2_655 . . 121.59(3) ?
  Cs2 Cs1 Se5 2_655 . 5_545 57.41(3) ?
  Cs2 Cs1 Cs2 6_545 . 4_555 69.649(9) ?
  Cs2 Cs1 Cs2 6_545 . 8_455 69.655(8) ?
  Cs2 Cs1 Ga1 6_545 . . 89.564(10) ?
  Cs2 Cs1 Ga1 6_545 . 2_555 64.631(10) ?
  Cs2 Cs1 Ga1 6_545 . 6_545 64.615(10) ?
  Cs2 Cs1 Ga2 6_545 . . 115.121(11) ?
  Cs2 Cs1 Ga2 6_545 . 5_545 115.136(13) ?
  Cs2 Cs1 Ga2 6_545 . 6_545 89.564(11) ?
  Cs2 Cs1 Ga2 6_545 . 7_556 91.022(10) ?
  Cs2 Cs1 Se1 6_545 . . 90.03(2) ?
  Cs2 Cs1 Se1 6_545 . 5_545 90.03(2) ?
  Cs2 Cs1 Se1 6_545 . 7_556 123.19(2) ?
  Cs2 Cs1 Se2 6_545 . 4_555 58.726(19) ?
  Cs2 Cs1 Se3 6_545 . . 121.724(18) ?
  Cs2 Cs1 Se3 6_545 . 6_545 57.519(19) ?
  Cs2 Cs1 Se4 6_545 . . 57.51(2) ?
  Cs2 Cs1 Se5 6_545 . 5_545 121.69(3) ?
  Cs2 Cs1 Cs2 4_555 . 8_455 90.247(8) ?
  Cs2 Cs1 Ga1 4_555 . . 150.475(12) ?
  Cs2 Cs1 Ga1 4_555 . 2_555 128.559(10) ?
  Cs2 Cs1 Ga1 4_555 . 6_545 52.899(9) ?
  Cs2 Cs1 Ga2 4_555 . . 157.566(10) ?
  Cs2 Cs1 Ga2 4_555 . 5_545 72.446(9) ?
  Cs2 Cs1 Ga2 4_555 . 6_545 102.269(11) ?
  Cs2 Cs1 Ga2 4_555 . 7_556 52.566(9) ?
  Cs2 Cs1 Se1 4_555 . . 131.84(2) ?
  Cs2 Cs1 Se1 4_555 . 5_545 41.671(19) ?
  Cs2 Cs1 Se1 4_555 . 7_556 71.10(2) ?
  Cs2 Cs1 Se2 4_555 . 4_555 45.12(2) ?
  Cs2 Cs1 Se3 4_555 . . 164.734(18) ?
  Cs2 Cs1 Se3 4_555 . 6_545 81.51(2) ?
  Cs2 Cs1 Se4 4_555 . . 126.13(3) ?
  Cs2 Cs1 Se5 4_555 . 5_545 103.15(2) ?
  Cs2 Cs1 Ga1 8_455 . . 102.236(10) ?
  Cs2 Cs1 Ga1 8_455 . 2_555 52.873(9) ?
  Cs2 Cs1 Ga1 8_455 . 6_545 128.566(11) ?
  Cs2 Cs1 Ga2 8_455 . . 72.411(9) ?
  Cs2 Cs1 Ga2 8_455 . 5_545 157.590(10) ?
  Cs2 Cs1 Ga2 8_455 . 6_545 150.456(9) ?
  Cs2 Cs1 Ga2 8_455 . 7_556 52.594(8) ?
  Cs2 Cs1 Se1 8_455 . . 41.655(19) ?
  Cs2 Cs1 Se1 8_455 . 5_545 131.86(2) ?
  Cs2 Cs1 Se1 8_455 . 7_556 71.16(2) ?
  Cs2 Cs1 Se2 8_455 . 4_555 45.18(2) ?
  Cs2 Cs1 Se3 8_455 . . 103.12(2) ?
  Cs2 Cs1 Se3 8_455 . 6_545 126.131(18) ?
  Cs2 Cs1 Se4 8_455 . . 81.452(11) ?
  Cs2 Cs1 Se5 8_455 . 5_545 164.73(3) ?
  Ga1 Cs1 Ga1 . . 2_555 50.619(10) ?
  Ga1 Cs1 Ga1 . . 6_545 99.738(12) ?
  Ga1 Cs1 Ga2 . . . 50.620(10) ?
  Ga1 Cs1 Ga2 . . 5_545 99.722(12) ?
  Ga1 Cs1 Ga2 . . 6_545 55.312(11) ?
  Ga1 Cs1 Ga2 . . 7_556 152.338(13) ?
  Ga1 Cs1 Se1 . . . 66.080(19) ?
  Ga1 Cs1 Se1 . . 5_545 121.41(2) ?
  Ga1 Cs1 Se1 . . 7_556 138.21(3) ?
  Ga1 Cs1 Se2 . . 4_555 138.869(19) ?
  Ga1 Cs1 Se3 . . . 33.539(19) ?
  Ga1 Cs1 Se3 . . 6_545 69.47(2) ?
  Ga1 Cs1 Se4 . . . 33.536(19) ?
  Ga1 Cs1 Se5 . . 5_545 69.463(14) ?
  Ga1 Cs1 Ga1 2_555 . 6_545 119.901(11) ?
  Ga1 Cs1 Ga2 2_555 . . 50.493(10) ?
  Ga1 Cs1 Ga2 2_555 . 5_545 149.537(12) ?
  Ga1 Cs1 Ga2 2_555 . 6_545 99.737(11) ?
  Ga1 Cs1 Ga2 2_555 . 7_556 105.462(11) ?
  Ga1 Cs1 Se1 2_555 . . 32.143(18) ?
  Ga1 Cs1 Se1 2_555 . 5_545 151.76(2) ?
  Ga1 Cs1 Se1 2_555 . 7_556 116.86(2) ?
  Ga1 Cs1 Se2 2_555 . 4_555 89.956(19) ?
  Ga1 Cs1 Se3 2_555 . . 66.462(17) ?
  Ga1 Cs1 Se3 2_555 . 6_545 92.772(18) ?
  Ga1 Cs1 Se4 2_555 . . 31.482(19) ?
  Ga1 Cs1 Se5 2_555 . 5_545 120.073(15) ?
  Ga1 Cs1 Ga2 6_545 . . 149.535(12) ?
  Ga1 Cs1 Ga2 6_545 . 5_545 50.522(10) ?
  Ga1 Cs1 Ga2 6_545 . 6_545 50.627(10) ?
  Ga1 Cs1 Ga2 6_545 . 7_556 105.460(12) ?
  Ga1 Cs1 Se1 6_545 . . 151.74(2) ?
  Ga1 Cs1 Se1 6_545 . 5_545 32.167(18) ?
  Ga1 Cs1 Se1 6_545 . 7_556 116.80(2) ?
  Ga1 Cs1 Se2 6_545 . 4_555 89.91(2) ?
  Ga1 Cs1 Se3 6_545 . . 120.10(2) ?
  Ga1 Cs1 Se3 6_545 . 6_545 31.513(18) ?
  Ga1 Cs1 Se4 6_545 . . 92.79(3) ?
  Ga1 Cs1 Se5 6_545 . 5_545 66.45(3) ?
  Ga2 Cs1 Ga2 . . 5_545 119.825(12) ?
  Ga2 Cs1 Ga2 . . 6_545 99.719(12) ?
  Ga2 Cs1 Ga2 . . 7_556 105.004(12) ?
  Ga2 Cs1 Se1 . . . 32.19(2) ?
  Ga2 Cs1 Se1 . . 5_545 151.73(2) ?
  Ga2 Cs1 Se1 . . 7_556 89.49(2) ?
  Ga2 Cs1 Se2 . . 4_555 116.64(2) ?
  Ga2 Cs1 Se3 . . . 31.49(2) ?
  Ga2 Cs1 Se3 . . 6_545 120.08(2) ?
  Ga2 Cs1 Se4 . . . 66.46(3) ?
  Ga2 Cs1 Se5 . . 5_545 92.74(3) ?
  Ga2 Cs1 Ga2 5_545 . 6_545 50.629(10) ?
  Ga2 Cs1 Ga2 5_545 . 7_556 105.000(11) ?
  Ga2 Cs1 Se1 5_545 . . 151.71(2) ?
  Ga2 Cs1 Se1 5_545 . 5_545 32.21(2) ?
  Ga2 Cs1 Se1 5_545 . 7_556 89.42(2) ?
  Ga2 Cs1 Se2 5_545 . 4_555 116.61(2) ?
  Ga2 Cs1 Se3 5_545 . . 92.722(19) ?
  Ga2 Cs1 Se3 5_545 . 6_545 66.485(17) ?
  Ga2 Cs1 Se4 5_545 . . 120.129(15) ?
  Ga2 Cs1 Se5 5_545 . 5_545 31.492(19) ?
  Ga2 Cs1 Ga2 6_545 . 7_556 152.340(13) ?
  Ga2 Cs1 Se1 6_545 . . 121.39(2) ?
  Ga2 Cs1 Se1 6_545 . 5_545 66.101(19) ?
  Ga2 Cs1 Se1 6_545 . 7_556 138.17(2) ?
  Ga2 Cs1 Se2 6_545 . 4_555 138.84(2) ?
  Ga2 Cs1 Se3 6_545 . . 69.48(2) ?
  Ga2 Cs1 Se3 6_545 . 6_545 33.52(2) ?
  Ga2 Cs1 Se4 6_545 . . 69.508(13) ?
  Ga2 Cs1 Se5 6_545 . 5_545 33.500(19) ?
  Ga2 Cs1 Se1 7_556 . . 86.263(19) ?
  Ga2 Cs1 Se1 7_556 . 5_545 86.244(19) ?
  Ga2 Cs1 Se1 7_556 . 7_556 32.17(2) ?
  Ga2 Cs1 Se2 7_556 . 4_555 32.295(19) ?
  Ga2 Cs1 Se3 7_556 . . 131.56(2) ?
  Ga2 Cs1 Se3 7_556 . 6_545 132.33(2) ?
  Ga2 Cs1 Se4 7_556 . . 132.300(11) ?
  Ga2 Cs1 Se5 7_556 . 5_545 131.593(10) ?
  Se1 Cs1 Se1 . . 5_545 172.51(3) ?
  Se1 Cs1 Se1 . . 7_556 86.89(3) ?
  Se1 Cs1 Se2 . . 4_555 86.84(3) ?
  Se1 Cs1 Se3 . . . 61.61(3) ?
  Se1 Cs1 Se3 . . 6_545 124.25(2) ?
  Se1 Cs1 Se4 . . . 61.56(3) ?
  Se1 Cs1 Se5 . . 5_545 124.26(3) ?
  Se1 Cs1 Se1 5_545 . 7_556 86.81(3) ?
  Se1 Cs1 Se2 5_545 . 4_555 86.79(3) ?
  Se1 Cs1 Se3 5_545 . . 124.26(3) ?
  Se1 Cs1 Se3 5_545 . 6_545 61.61(2) ?
  Se1 Cs1 Se4 5_545 . . 124.29(3) ?
  Se1 Cs1 Se5 5_545 . 5_545 61.62(3) ?
  Se1 Cs1 Se2 7_556 . 4_555 64.47(3) ?
  Se1 Cs1 Se3 7_556 . . 105.99(3) ?
  Se1 Cs1 Se3 7_556 . 6_545 148.14(3) ?
  Se1 Cs1 Se4 7_556 . . 148.17(3) ?
  Se1 Cs1 Se5 7_556 . 5_545 106.00(2) ?
  Se2 Cs1 Se3 4_555 . . 148.03(3) ?
  Se2 Cs1 Se3 4_555 . 6_545 106.77(3) ?
  Se2 Cs1 Se4 4_555 . . 106.77(2) ?
  Se2 Cs1 Se5 4_555 . 5_545 147.99(3) ?
  Se3 Cs1 Se3 . . 6_545 96.10(3) ?
  Se3 Cs1 Se4 . . . 64.21(3) ?
  Se3 Cs1 Se5 . . 5_545 62.71(3) ?
  Se3 Cs1 Se4 6_545 . . 62.74(3) ?
  Se3 Cs1 Se5 6_545 . 5_545 64.17(3) ?
  Se4 Cs1 Se5 . . 5_545 96.105(9) ?
  Cs1 Cs2 Cs1 2_655 . 6_555 178.858(11) ?
  Cs1 Cs2 Cs1 2_655 . 4_554 68.910(9) ?
  Cs1 Cs2 Cs1 2_655 . 8_554 68.903(8) ?
  Cs1 Cs2 Cs2 2_655 . 2_655 90.510(9) ?
  Cs1 Cs2 Cs2 2_655 . 3_665 110.211(9) ?
  Cs1 Cs2 Cs2 2_655 . 7_555 110.233(10) ?
  Cs1 Cs2 Ga1 2_655 . . 116.057(13) ?
  Cs1 Cs2 Ga1 2_655 . 5_555 116.021(11) ?
  Cs1 Cs2 Ga1 2_655 . 7_555 89.076(10) ?
  Cs1 Cs2 Ga2 2_655 . 2_655 64.156(10) ?
  Cs1 Cs2 Ga2 2_655 . 6_545 64.155(10) ?
  Cs1 Cs2 Se1 2_655 . 8_554 57.34(2) ?
  Cs1 Cs2 Se2 2_655 . . 89.96(2) ?
  Cs1 Cs2 Se2 2_655 . 5_555 89.94(2) ?
  Cs1 Cs2 Se2 2_655 . 7_555 120.95(2) ?
  Cs1 Cs2 Se3 2_655 . . 122.16(2) ?
  Cs1 Cs2 Se3 2_655 . 2_655 58.53(2) ?
  Cs1 Cs2 Se4 2_655 . 5_555 122.193(14) ?
  Cs1 Cs2 Se5 2_655 . 5_545 58.571(13) ?
  Cs1 Cs2 Cs1 6_555 . 4_554 110.351(9) ?
  Cs1 Cs2 Cs1 6_555 . 8_554 110.345(10) ?
  Cs1 Cs2 Cs2 6_555 . 2_655 90.632(9) ?
  Cs1 Cs2 Cs2 6_555 . 3_665 69.033(9) ?
  Cs1 Cs2 Cs2 6_555 . 7_555 69.024(8) ?
  Cs1 Cs2 Ga1 6_555 . . 64.274(10) ?
  Cs1 Cs2 Ga1 6_555 . 5_555 64.292(10) ?
  Cs1 Cs2 Ga1 6_555 . 7_555 89.783(10) ?
  Cs1 Cs2 Ga2 6_555 . 2_655 116.156(13) ?
  Cs1 Cs2 Ga2 6_555 . 6_545 116.175(11) ?
  Cs1 Cs2 Se1 6_555 . 8_554 121.52(2) ?
  Cs1 Cs2 Se2 6_555 . . 89.98(2) ?
  Cs1 Cs2 Se2 6_555 . 5_555 89.99(2) ?
  Cs1 Cs2 Se2 6_555 . 7_555 57.91(2) ?
  Cs1 Cs2 Se3 6_555 . . 58.74(2) ?
  Cs1 Cs2 Se3 6_555 . 2_655 122.36(2) ?
  Cs1 Cs2 Se4 6_555 . 5_555 58.697(14) ?
  Cs1 Cs2 Se5 6_555 . 5_545 122.330(15) ?
  Cs1 Cs2 Cs1 4_554 . 8_554 90.247(8) ?
  Cs1 Cs2 Cs2 4_554 . 2_655 127.657(10) ?
  Cs1 Cs2 Cs2 4_554 . 3_665 104.427(8) ?
  Cs1 Cs2 Cs2 4_554 . 7_555 41.327(6) ?
  Cs1 Cs2 Ga1 4_554 . . 72.429(9) ?
  Cs1 Cs2 Ga1 4_554 . 5_555 157.073(10) ?
  Cs1 Cs2 Ga1 4_554 . 7_555 52.210(9) ?
  Cs1 Cs2 Ga2 4_554 . 2_655 127.611(10) ?
  Cs1 Cs2 Ga2 4_554 . 6_545 52.278(9) ?
  Cs1 Cs2 Se1 4_554 . 8_554 45.12(2) ?
  Cs1 Cs2 Se2 4_554 . . 42.027(19) ?
  Cs1 Cs2 Se2 4_554 . 5_555 132.209(19) ?
  Cs1 Cs2 Se2 4_554 . 7_555 70.38(2) ?
  Cs1 Cs2 Se3 4_554 . . 102.72(2) ?
  Cs1 Cs2 Se3 4_554 . 2_655 126.35(2) ?
  Cs1 Cs2 Se4 4_554 . 5_555 165.284(9) ?
  Cs1 Cs2 Se5 4_554 . 5_545 81.17(2) ?
  Cs1 Cs2 Cs2 8_554 . 2_655 127.534(8) ?
  Cs1 Cs2 Cs2 8_554 . 3_665 41.312(6) ?
  Cs1 Cs2 Cs2 8_554 . 7_555 104.428(8) ?
  Cs1 Cs2 Ga1 8_554 . . 157.098(9) ?
  Cs1 Cs2 Ga1 8_554 . 5_555 72.390(9) ?
  Cs1 Cs2 Ga1 8_554 . 7_555 52.231(8) ?
  Cs1 Cs2 Ga2 8_554 . 2_655 52.251(9) ?
  Cs1 Cs2 Ga2 8_554 . 6_545 127.616(11) ?
  Cs1 Cs2 Se1 8_554 . 8_554 45.19(2) ?
  Cs1 Cs2 Se2 8_554 . . 132.23(2) ?
  Cs1 Cs2 Se2 8_554 . 5_555 42.010(19) ?
  Cs1 Cs2 Se2 8_554 . 7_555 70.424(19) ?
  Cs1 Cs2 Se3 8_554 . . 165.26(3) ?
  Cs1 Cs2 Se3 8_554 . 2_655 81.116(19) ?
  Cs1 Cs2 Se4 8_554 . 5_555 102.664(15) ?
  Cs1 Cs2 Se5 8_554 . 5_545 126.368(11) ?
  Cs2 Cs2 Cs2 2_655 . 3_665 127.916(10) ?
  Cs2 Cs2 Cs2 2_655 . 7_555 128.038(9) ?
  Cs2 Cs2 Ga1 2_655 . . 75.367(9) ?
  Cs2 Cs2 Ga1 2_655 . 5_555 75.270(9) ?
  Cs2 Cs2 Ga1 2_655 . 7_555 179.582(11) ?
  Cs2 Cs2 Ga2 2_655 . 2_655 75.284(9) ?
  Cs2 Cs2 Ga2 2_655 . 6_545 75.379(9) ?
  Cs2 Cs2 Se1 2_655 . 8_554 147.85(2) ?
  Cs2 Cs2 Se2 2_655 . . 93.385(19) ?
  Cs2 Cs2 Se2 2_655 . 5_555 93.260(18) ?
  Cs2 Cs2 Se2 2_655 . 7_555 148.54(2) ?
  Cs2 Cs2 Se3 2_655 . . 48.197(16) ?
  Cs2 Cs2 Se3 2_655 . 2_655 48.200(18) ?
  Cs2 Cs2 Se4 2_655 . 5_555 48.18(2) ?
  Cs2 Cs2 Se5 2_655 . 5_545 48.24(2) ?
  Cs2 Cs2 Cs2 3_665 . 7_555 89.777(7) ?
  Cs2 Cs2 Ga1 3_665 . . 127.719(10) ?
  Cs2 Cs2 Ga1 3_665 . 5_555 52.648(9) ?
  Cs2 Cs2 Ga1 3_665 . 7_555 52.218(9) ?
  Cs2 Cs2 Ga2 3_665 . 2_655 72.583(9) ?
  Cs2 Cs2 Ga2 3_665 . 6_545 156.700(10) ?
  Cs2 Cs2 Se1 3_665 . 8_554 70.50(2) ?
  Cs2 Cs2 Se2 3_665 . . 131.998(18) ?
  Cs2 Cs2 Se2 3_665 . 5_555 42.255(17) ?
  Cs2 Cs2 Se2 3_665 . 7_555 44.95(2) ?
  Cs2 Cs2 Se3 3_665 . . 126.71(2) ?
  Cs2 Cs2 Se3 3_665 . 2_655 102.89(2) ?
  Cs2 Cs2 Se4 3_665 . 5_555 81.52(2) ?
  Cs2 Cs2 Se5 3_665 . 5_545 165.259(8) ?
  Cs2 Cs2 Ga1 7_555 . . 52.672(8) ?
  Cs2 Cs2 Ga1 7_555 . 5_555 127.712(10) ?
  Cs2 Cs2 Ga1 7_555 . 7_555 52.199(8) ?
  Cs2 Cs2 Ga2 7_555 . 2_655 156.675(10) ?
  Cs2 Cs2 Ga2 7_555 . 6_545 72.625(8) ?
  Cs2 Cs2 Se1 7_555 . 8_554 70.459(17) ?
  Cs2 Cs2 Se2 7_555 . . 42.270(17) ?
  Cs2 Cs2 Se2 7_555 . 5_555 131.983(18) ?
  Cs2 Cs2 Se2 7_555 . 7_555 44.88(2) ?
  Cs2 Cs2 Se3 7_555 . . 81.590(17) ?
  Cs2 Cs2 Se3 7_555 . 2_655 165.28(3) ?
  Cs2 Cs2 Se4 7_555 . 5_555 126.676(11) ?
  Cs2 Cs2 Se5 7_555 . 5_545 102.933(15) ?
  Ga1 Cs2 Ga1 . . 5_555 119.343(12) ?
  Ga1 Cs2 Ga1 . . 7_555 104.871(11) ?
  Ga1 Cs2 Ga2 . . 2_655 150.651(12) ?
  Ga1 Cs2 Ga2 . . 6_545 51.904(10) ?
  Ga1 Cs2 Se1 . . 8_554 116.53(2) ?
  Ga1 Cs2 Se2 . . . 32.14(2) ?
  Ga1 Cs2 Se2 . . 5_555 151.22(2) ?
  Ga1 Cs2 Se2 . . 7_555 89.31(2) ?
  Ga1 Cs2 Se3 . . . 31.344(19) ?
  Ga1 Cs2 Se3 . . 2_655 121.11(2) ?
  Ga1 Cs2 Se4 . . 5_555 93.222(12) ?
  Ga1 Cs2 Se5 . . 5_545 66.849(9) ?
  Ga1 Cs2 Ga1 5_555 . 7_555 104.866(12) ?
  Ga1 Cs2 Ga2 5_555 . 2_655 51.867(10) ?
  Ga1 Cs2 Ga2 5_555 . 6_545 150.649(11) ?
  Ga1 Cs2 Se1 5_555 . 8_554 116.57(2) ?
  Ga1 Cs2 Se2 5_555 . . 151.24(2) ?
  Ga1 Cs2 Se2 5_555 . 5_555 32.12(2) ?
  Ga1 Cs2 Se2 5_555 . 7_555 89.35(2) ?
  Ga1 Cs2 Se3 5_555 . . 93.22(2) ?
  Ga1 Cs2 Se3 5_555 . 2_655 66.84(2) ?
  Ga1 Cs2 Se4 5_555 . 5_555 31.313(17) ?
  Ga1 Cs2 Se5 5_555 . 5_545 121.07(2) ?
  Ga1 Cs2 Ga2 7_555 . 2_655 104.477(11) ?
  Ga1 Cs2 Ga2 7_555 . 6_545 104.484(12) ?
  Ga1 Cs2 Se1 7_555 . 8_554 31.738(19) ?
  Ga1 Cs2 Se2 7_555 . . 86.673(19) ?
  Ga1 Cs2 Se2 7_555 . 5_555 86.682(19) ?
  Ga1 Cs2 Se2 7_555 . 7_555 31.87(2) ?
  Ga1 Cs2 Se3 7_555 . . 132.136(17) ?
  Ga1 Cs2 Se3 7_555 . 2_655 131.47(2) ?
  Ga1 Cs2 Se4 7_555 . 5_555 132.08(2) ?
  Ga1 Cs2 Se5 7_555 . 5_545 131.51(2) ?
  Ga2 Cs2 Ga2 2_655 . 6_545 119.190(11) ?
  Ga2 Cs2 Se1 2_655 . 8_554 88.945(19) ?
  Ga2 Cs2 Se2 2_655 . . 151.12(2) ?
  Ga2 Cs2 Se2 2_655 . 5_555 32.153(18) ?
  Ga2 Cs2 Se2 2_655 . 7_555 116.42(2) ?
  Ga2 Cs2 Se3 2_655 . . 121.093(19) ?
  Ga2 Cs2 Se3 2_655 . 2_655 31.30(2) ?
  Ga2 Cs2 Se4 2_655 . 5_555 66.863(9) ?
  Ga2 Cs2 Se5 2_655 . 5_545 93.128(12) ?
  Ga2 Cs2 Se1 6_545 . 8_554 88.90(2) ?
  Ga2 Cs2 Se2 6_545 . . 32.180(18) ?
  Ga2 Cs2 Se2 6_545 . 5_555 151.095(19) ?
  Ga2 Cs2 Se2 6_545 . 7_555 116.39(2) ?
  Ga2 Cs2 Se3 6_545 . . 66.87(2) ?
  Ga2 Cs2 Se3 6_545 . 2_655 93.12(2) ?
  Ga2 Cs2 Se4 6_545 . 5_555 121.14(2) ?
  Ga2 Cs2 Se5 6_545 . 5_545 31.315(17) ?
  Se1 Cs2 Se2 8_554 . . 87.15(3) ?
  Se1 Cs2 Se2 8_554 . 5_555 87.20(3) ?
  Se1 Cs2 Se2 8_554 . 7_555 63.61(3) ?
  Se1 Cs2 Se3 8_554 . . 147.64(3) ?
  Se1 Cs2 Se3 8_554 . 2_655 106.45(3) ?
  Se1 Cs2 Se4 8_554 . 5_555 147.65(3) ?
  Se1 Cs2 Se5 8_554 . 5_545 106.46(3) ?
  Se2 Cs2 Se2 . . 5_555 173.35(2) ?
  Se2 Cs2 Se2 . . 7_555 87.15(3) ?
  Se2 Cs2 Se3 . . . 60.83(3) ?
  Se2 Cs2 Se3 . . 2_655 124.38(3) ?
  Se2 Cs2 Se4 . . 5_555 124.44(2) ?
  Se2 Cs2 Se5 . . 5_545 60.83(2) ?
  Se2 Cs2 Se2 5_555 . 7_555 87.20(3) ?
  Se2 Cs2 Se3 5_555 . . 124.41(3) ?
  Se2 Cs2 Se3 5_555 . 2_655 60.80(3) ?
  Se2 Cs2 Se4 5_555 . 5_555 60.80(2) ?
  Se2 Cs2 Se5 5_555 . 5_545 124.35(2) ?
  Se2 Cs2 Se3 7_555 . . 107.11(3) ?
  Se2 Cs2 Se3 7_555 . 2_655 147.54(3) ?
  Se2 Cs2 Se4 7_555 . 5_555 107.07(3) ?
  Se2 Cs2 Se5 7_555 . 5_545 147.53(3) ?
  Se3 Cs2 Se3 . . 2_655 96.40(2) ?
  Se3 Cs2 Se4 . . 5_555 63.66(2) ?
  Se3 Cs2 Se5 . . 5_545 63.59(2) ?
  Se3 Cs2 Se4 2_655 . 5_555 63.66(2) ?
  Se3 Cs2 Se5 2_655 . 5_545 63.60(2) ?
  Se4 Cs2 Se5 5_555 . 5_545 96.42(3) ?
  Cs1 Ga1 Cs1 . . 2_555 115.452(13) ?
  Cs1 Ga1 Cs1 . . 6_555 115.600(12) ?
  Cs1 Ga1 Cs2 . . . 91.333(11) ?
  Cs1 Ga1 Cs2 . . 5_445 91.214(12) ?
  Cs1 Ga1 Cs2 . . 7_555 151.981(15) ?
  Cs1 Ga1 Se1 . . 2_555 154.58(4) ?
  Cs1 Ga1 Se2 . . . 97.18(3) ?
  Cs1 Ga1 Se3 . . . 60.29(3) ?
  Cs1 Ga1 Se4 . . . 60.278(12) ?
  Cs1 Ga1 Cs1 2_555 . 6_555 119.901(12) ?
  Cs1 Ga1 Cs2 2_555 . . 150.022(13) ?
  Cs1 Ga1 Cs2 2_555 . 5_445 51.077(8) ?
  Cs1 Ga1 Cs2 2_555 . 7_555 74.897(9) ?
  Cs1 Ga1 Se1 2_555 . 2_555 60.13(3) ?
  Cs1 Ga1 Se2 2_555 . . 101.52(3) ?
  Cs1 Ga1 Se3 2_555 . . 151.19(3) ?
  Cs1 Ga1 Se4 2_555 . . 55.176(10) ?
  Cs1 Ga1 Cs2 6_555 . . 51.110(8) ?
  Cs1 Ga1 Cs2 6_555 . 5_445 150.022(13) ?
  Cs1 Ga1 Cs2 6_555 . 7_555 74.891(10) ?
  Cs1 Ga1 Se1 6_555 . 2_555 60.04(3) ?
  Cs1 Ga1 Se2 6_555 . . 101.46(4) ?
  Cs1 Ga1 Se3 6_555 . . 55.31(3) ?
  Cs1 Ga1 Se4 6_555 . . 151.22(4) ?
  Cs2 Ga1 Cs2 . . 5_445 119.343(13) ?
  Cs2 Ga1 Cs2 . . 7_555 75.129(10) ?
  Cs2 Ga1 Se1 . . 2_555 101.30(3) ?
  Cs2 Ga1 Se2 . . . 59.74(3) ?
  Cs2 Ga1 Se3 . . . 53.86(3) ?
  Cs2 Ga1 Se4 . . . 148.45(3) ?
  Cs2 Ga1 Cs2 5_445 . 7_555 75.134(10) ?
  Cs2 Ga1 Se1 5_445 . 2_555 101.36(3) ?
  Cs2 Ga1 Se2 5_445 . . 59.83(3) ?
  Cs2 Ga1 Se3 5_445 . . 148.37(4) ?
  Cs2 Ga1 Se4 5_445 . . 53.76(3) ?
  Cs2 Ga1 Se1 7_555 . 2_555 53.44(3) ?
  Cs2 Ga1 Se2 7_555 . . 54.80(3) ?
  Cs2 Ga1 Se3 7_555 . . 123.36(3) ?
  Cs2 Ga1 Se4 7_555 . . 123.24(2) ?
  Se1 Ga1 Se2 2_555 . . 108.24(4) ?
  Se1 Ga1 Se3 2_555 . . 110.25(5) ?
  Se1 Ga1 Se4 2_555 . . 110.22(4) ?
  Se2 Ga1 Se3 . . . 107.28(4) ?
  Se2 Ga1 Se4 . . . 107.30(5) ?
  Se3 Ga1 Se4 . . . 113.34(4) ?
  Cs1 Ga2 Cs1 . . 5_455 119.825(13) ?
  Cs1 Ga2 Cs1 . . 6_555 115.426(13) ?
  Cs1 Ga2 Cs1 . . 7_556 74.996(10) ?
  Cs1 Ga2 Cs2 . . 2_655 51.287(8) ?
  Cs1 Ga2 Cs2 . . 6_555 150.148(13) ?
  Cs1 Ga2 Se1 . . . 60.10(3) ?
  Cs1 Ga2 Se2 . . 6_555 101.70(3) ?
  Cs1 Ga2 Se3 . . . 55.16(3) ?
  Cs1 Ga2 Se5 . . . 151.08(4) ?
  Cs1 Ga2 Cs1 5_455 . 6_555 115.579(12) ?
  Cs1 Ga2 Cs1 5_455 . 7_556 75.000(10) ?
  Cs1 Ga2 Cs2 5_455 . 2_655 150.152(13) ?
  Cs1 Ga2 Cs2 5_455 . 6_555 51.320(8) ?
  Cs1 Ga2 Se1 5_455 . . 60.00(3) ?
  Cs1 Ga2 Se2 5_455 . 6_555 101.66(3) ?
  Cs1 Ga2 Se3 5_455 . . 151.15(3) ?
  Cs1 Ga2 Se5 5_455 . . 55.290(11) ?
  Cs1 Ga2 Cs1 6_555 . 7_556 151.902(14) ?
  Cs1 Ga2 Cs2 6_555 . 2_655 91.108(11) ?
  Cs1 Ga2 Cs2 6_555 . 6_555 91.234(12) ?
  Cs1 Ga2 Se1 6_555 . . 154.37(3) ?
  Cs1 Ga2 Se2 6_555 . 6_555 97.00(3) ?
  Cs1 Ga2 Se3 6_555 . . 60.27(3) ?
  Cs1 Ga2 Se5 6_555 . . 60.292(12) ?
  Cs1 Ga2 Cs2 7_556 . 2_655 75.155(9) ?
  Cs1 Ga2 Cs2 7_556 . 6_555 75.155(10) ?
  Cs1 Ga2 Se1 7_556 . . 53.73(3) ?
  Cs1 Ga2 Se2 7_556 . 6_555 54.90(3) ?
  Cs1 Ga2 Se3 7_556 . . 123.21(3) ?
  Cs1 Ga2 Se5 7_556 . . 123.36(3) ?
  Cs2 Ga2 Cs2 2_655 . 6_555 119.190(12) ?
  Cs2 Ga2 Se1 2_655 . . 101.59(3) ?
  Cs2 Ga2 Se2 2_655 . 6_555 59.74(3) ?
  Cs2 Ga2 Se3 2_655 . . 53.72(2) ?
  Cs2 Ga2 Se5 2_655 . . 148.24(3) ?
  Cs2 Ga2 Se1 6_555 . . 101.52(4) ?
  Cs2 Ga2 Se2 6_555 . 6_555 59.67(3) ?
  Cs2 Ga2 Se3 6_555 . . 148.29(4) ?
  Cs2 Ga2 Se5 6_555 . . 53.86(3) ?
  Se1 Ga2 Se2 . . 6_555 108.63(4) ?
  Se1 Ga2 Se3 . . . 110.16(5) ?
  Se1 Ga2 Se5 . . . 110.15(4) ?
  Se2 Ga2 Se3 6_555 . . 107.17(4) ?
  Se2 Ga2 Se5 6_555 . . 107.20(5) ?
  Se3 Ga2 Se5 . . . 113.35(4) ?
  Cs1 Se1 Cs1 . . 5_455 172.51(3) ?
  Cs1 Se1 Cs1 . . 7_556 93.11(2) ?
  Cs1 Se1 Cs2 . . 8_455 93.15(3) ?
  Cs1 Se1 Ga1 . . 2_555 87.72(4) ?
  Cs1 Se1 Ga2 . . . 87.71(3) ?
  Cs1 Se1 Cs1 5_455 . 7_556 93.19(3) ?
  Cs1 Se1 Cs2 5_455 . 8_455 93.21(3) ?
  Cs1 Se1 Ga1 5_455 . 2_555 87.79(3) ?
  Cs1 Se1 Ga2 5_455 . . 87.80(4) ?
  Cs1 Se1 Cs2 7_556 . 8_455 64.71(2) ?
  Cs1 Se1 Ga1 7_556 . 2_555 159.54(5) ?
  Cs1 Se1 Ga2 7_556 . . 94.10(4) ?
  Cs2 Se1 Ga1 8_455 . 2_555 94.83(4) ?
  Cs2 Se1 Ga2 8_455 . . 158.82(5) ?
  Ga1 Se1 Ga2 2_555 . . 106.36(5) ?
  Cs1 Se2 Cs2 4_554 . . 92.86(3) ?
  Cs1 Se2 Cs2 4_554 . 5_445 92.81(3) ?
  Cs1 Se2 Cs2 4_554 . 7_555 63.36(2) ?
  Cs1 Se2 Ga1 4_554 . . 156.69(4) ?
  Cs1 Se2 Ga2 4_554 . 6_545 92.80(4) ?
  Cs2 Se2 Cs2 . . 5_445 173.35(3) ?
  Cs2 Se2 Cs2 . . 7_555 92.85(3) ?
  Cs2 Se2 Ga1 . . . 88.12(4) ?
  Cs2 Se2 Ga2 . . 6_545 88.15(3) ?
  Cs2 Se2 Cs2 5_445 . 7_555 92.80(2) ?
  Cs2 Se2 Ga1 5_445 . . 88.06(3) ?
  Cs2 Se2 Ga2 5_445 . 6_545 88.10(4) ?
  Cs2 Se2 Ga1 7_555 . . 93.32(4) ?
  Cs2 Se2 Ga2 7_555 . 6_545 156.17(5) ?
  Ga1 Se2 Ga2 . . 6_545 110.51(5) ?
  Cs1 Se3 Cs1 . . 6_555 179.09(3) ?
  Cs1 Se3 Cs2 . . . 116.93(3) ?
  Cs1 Se3 Cs2 . . 2_655 64.085(19) ?
  Cs1 Se3 Ga1 . . . 86.17(4) ?
  Cs1 Se3 Ga2 . . . 93.35(4) ?
  Cs1 Se3 Cs2 6_555 . . 63.74(2) ?
  Cs1 Se3 Cs2 6_555 . 2_655 116.74(3) ?
  Cs1 Se3 Ga1 6_555 . . 93.18(3) ?
  Cs1 Se3 Ga2 6_555 . . 86.21(4) ?
  Cs2 Se3 Cs2 . . 2_655 83.60(2) ?
  Cs2 Se3 Ga1 . . . 94.80(4) ?
  Cs2 Se3 Ga2 . . . 144.71(6) ?
  Cs2 Se3 Ga1 2_655 . . 144.89(6) ?
  Cs2 Se3 Ga2 2_655 . . 94.98(3) ?
  Ga1 Se3 Ga2 . . . 105.50(4) ?
  Cs1 Se4 Cs1 . . 2_555 179.22(6) ?
  Cs1 Se4 Cs2 . . 5_445 116.86(4) ?
  Cs1 Se4 Cs2 . . 6_545 63.791(15) ?
  Cs1 Se4 Ga1 . . . 86.19(2) ?
  Cs1 Se4 Ga1 . . 2_555 93.34(2) ?
  Cs1 Se4 Cs2 2_555 . 5_445 63.791(15) ?
  Cs1 Se4 Cs2 2_555 . 6_545 116.86(4) ?
  Cs1 Se4 Ga1 2_555 . . 93.34(2) ?
  Cs1 Se4 Ga1 2_555 . 2_555 86.19(2) ?
  Cs2 Se4 Cs2 5_445 . 6_545 83.65(4) ?
  Cs2 Se4 Ga1 5_445 . . 94.93(2) ?
  Cs2 Se4 Ga1 5_445 . 2_555 144.69(2) ?
  Cs2 Se4 Ga1 6_545 . . 144.69(2) ?
  Cs2 Se4 Ga1 6_545 . 2_555 94.93(2) ?
  Ga1 Se4 Ga1 . . 2_555 105.52(7) ?
  Cs1 Se5 Cs1 5_455 . 6_555 179.05(6) ?
  Cs1 Se5 Cs2 5_455 . 5_455 116.77(4) ?
  Cs1 Se5 Cs2 5_455 . 6_555 64.022(15) ?
  Cs1 Se5 Ga2 5_455 . . 93.22(2) ?
  Cs1 Se5 Ga2 5_455 . 2_555 86.21(2) ?
  Cs1 Se5 Cs2 6_555 . 5_455 64.022(15) ?
  Cs1 Se5 Cs2 6_555 . 6_555 116.77(4) ?
  Cs1 Se5 Ga2 6_555 . . 86.21(2) ?
  Cs1 Se5 Ga2 6_555 . 2_555 93.22(2) ?
  Cs2 Se5 Cs2 5_455 . 6_555 83.52(4) ?
  Cs2 Se5 Ga2 5_455 . . 144.88(2) ?
  Cs2 Se5 Ga2 5_455 . 2_555 94.83(2) ?
  Cs2 Se5 Ga2 6_555 . . 94.83(2) ?
  Cs2 Se5 Ga2 6_555 . 2_555 144.88(2) ?
  Ga2 Se5 Ga2 . . 2_555 105.59(7) ?

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_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion
 _geom_torsion_publ_flag
 ? ? ? ? ? ? ? ? ? ?

loop_
 _geom_hbond_atom_site_label_D
 _geom_hbond_atom_site_label_H
 _geom_hbond_atom_site_label_A
 _geom_hbond_site_symmetry_D
 _geom_hbond_site_symmetry_H
 _geom_hbond_site_symmetry_A
 _geom_hbond_distance_DH
 _geom_hbond_distance_HA
 _geom_hbond_distance_DA
 _geom_hbond_angle_DHA
 _geom_hbond_publ_flag
 ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST



