data_[Tl4In2Bi2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.2726]
_cell_length_b [9.7406]
_cell_length_c [6.3057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tl2InBiS4]
_chemical_formula_sum '[Tl4 In2 Bi2 S8]'
_cell_volume [508.1132]
_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  0.2163  0.3549  0.0579  1.0
  In  In1  2  0.0000  0.8302  0.9993  1.0
  Bi  Bi2  2  0.0000  0.1027  0.5218  1.0
  S  S3  4  0.2406  0.2907  0.5802  1.0
  S  S4  2  0.0000  0.0807  0.1019  1.0
  S  S5  2  0.0000  0.8183  0.6009  1.0
]