data_[Tl2Sn2Bi2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9327]
_cell_length_b [4.1295]
_cell_length_c [10.0411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlSnBiS3]
_chemical_formula_sum '[Tl2 Sn2 Bi2 S6]'
_cell_volume [328.3798]
_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  0.4149  0.2500  0.3238  1.0
  Sn  Sn1  2  0.2415  0.7500  0.9923  1.0
  Bi  Bi2  2  0.0865  0.2500  0.6668  1.0
  S  S3  2  0.0396  0.2500  0.1678  1.0
  S  S4  2  0.2207  0.7500  0.5076  1.0
  S  S5  2  0.3684  0.2500  0.8467  1.0
]