data_[Tl10Bi2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5524]
_cell_length_b [4.1676]
_cell_length_c [8.4515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5BiS4]
_chemical_formula_sum '[Tl10 Bi2 S8]'
_cell_volume [617.4137]
_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  0.1576  0.0000  0.8046  1.0
  Tl  Tl1  4  0.1870  0.0000  0.3081  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0242  0.0000  0.2428  1.0
  S  S5  4  0.1592  0.5000  0.0444  1.0
]