data_[Cs12Tl8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7518]
_cell_length_b [11.6933]
_cell_length_c [8.1020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3(TlS2)2]
_chemical_formula_sum '[Cs12 Tl8 S16]'
_cell_volume [1392.9394]
_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  8  0.1231  0.1337  0.5740  1.0
  Cs  Cs1  4  0.0000  0.3906  0.2500  1.0
  Tl  Tl2  8  0.2023  0.3815  0.9208  1.0
  S  S3  8  0.1244  0.1854  0.0135  1.0
  S  S4  8  0.1696  0.4355  0.5984  1.0
]