data_[Tl4Cd2Sb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.1468]
_cell_length_b [9.5055]
_cell_length_c [6.3528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tl2CdSbS4]
_chemical_formula_sum '[Tl4 Cd2 Sb2 S8]'
_cell_volume [491.9600]
_cell_formula_units_Z [2]
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
[
  Tl  Tl0  4  0.2464  0.3550  0.0575  1.0
  Cd  Cd1  2  0.0000  0.8562  0.0049  1.0
  Sb  Sb2  2  0.0000  0.1263  0.5095  1.0
  S  S3  4  0.2362  0.2888  0.5777  1.0
  S  S4  2  0.0000  0.1158  0.1224  1.0
  S  S5  2  0.0000  0.8614  0.5929  1.0
]