data_[Tl8In4Bi8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2640]
_cell_length_b [5.4852]
_cell_length_c [10.9787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2InBi2]
_chemical_formula_sum '[Tl8 In4 Bi8]'
_cell_volume [675.1845]
_cell_formula_units_Z [4]
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  0.0236  0.0000  0.3360  1.0
  Tl  Tl1  4  0.1593  0.0000  0.0681  1.0
  In  In2  4  0.2135  0.5000  0.3595  1.0
  Bi  Bi3  4  0.0409  0.5000  0.8804  1.0
  Bi  Bi4  4  0.1451  0.5000  0.6085  1.0
]