data_[Cs4Re4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Re  1.9000  1.3500  0.7125
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0687]
_cell_length_b [6.0660]
_cell_length_c [15.1264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsReS3]
_chemical_formula_sum '[Cs4 Re4 S12]'
_cell_volume [658.0922]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cs  Cs0  4  0.3823  0.7324  0.3508  1.0
  Re  Re1  4  0.0724  0.7065  0.0209  1.0
  S  S2  4  0.0486  0.0581  0.6303  1.0
  S  S3  4  0.1006  0.0569  0.9391  1.0
  S  S4  4  0.3822  0.7236  0.1047  1.0
]