data_[Tl4Cd2In2S8]
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
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.6258]
_cell_length_b [8.9337]
_cell_length_c [6.9337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tl2CdInS4]
_chemical_formula_sum '[Tl4 Cd2 In2 S8]'
_cell_volume [422.6934]
_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  2  0.0000  0.4583  0.5000  1.0
  Tl  Tl1  2  0.0000  0.7063  0.0000  1.0
  Cd  Cd2  2  0.0000  0.2462  0.0000  1.0
  In  In3  2  0.0000  0.0083  0.5000  1.0
  S  S4  4  0.2103  0.1755  0.4542  1.0
  S  S5  4  0.2257  0.9203  0.9356  1.0
]