data_[Cs8Ta8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.9477]
_cell_length_b [11.2372]
_cell_length_c [6.5143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7930]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsTaS3]
_chemical_formula_sum '[Cs8 Ta8 S24]'
_cell_volume [1193.7693]
_cell_formula_units_Z [8]
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  0.0000  0.1549  0.2500  1.0
  Cs  Cs1  4  0.0000  0.3931  0.7500  1.0
  Ta  Ta2  8  0.2418  0.0821  0.0300  1.0
  S  S3  8  0.1501  0.0428  0.6723  1.0
  S  S4  8  0.1667  0.2626  0.0586  1.0
  S  S5  8  0.1719  0.4382  0.6002  1.0
]