data_[Cs4Tl4Si4S12]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1462]
_cell_length_b [7.0766]
_cell_length_c [9.6375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTlSiS3]
_chemical_formula_sum '[Cs4 Tl4 Si4 S12]'
_cell_volume [760.7875]
_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  0.0886  0.0000  0.3669  1
  Tl  Tl1  4  0.1851  0.5000  0.8263  1
  Si  Si2  4  0.1076  0.5000  0.1660  1
  S  S3  4  0.0000  0.2687  0.0000  1
  S  S4  4  0.0951  0.5000  0.3733  1
  S  S5  4  0.2205  0.0000  0.7986  1
]