data_[Cs12Tl8S12]
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 [Cmcm]
_cell_length_a [4.9918]
_cell_length_b [14.3450]
_cell_length_c [16.9510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs3Tl2S3]
_chemical_formula_sum '[Cs12 Tl8 S12]'
_cell_volume [1213.8106]
_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  0.0000  0.0612  0.6084  1.0
  Cs  Cs1  4  0.0000  0.3421  0.7500  1.0
  Tl  Tl2  8  0.0000  0.2362  0.0854  1.0
  S  S3  8  0.0000  0.3618  0.5475  1.0
  S  S4  4  0.0000  0.3214  0.2500  1.0
]