data_[Tl32In8Bi8]
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 [Fddd]
_cell_length_a [6.7208]
_cell_length_b [11.9743]
_cell_length_c [18.9842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Tl4InBi]
_chemical_formula_sum '[Tl32 In8 Bi8]'
_cell_volume [1527.7996]
_cell_formula_units_Z [8]
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  32  0.0010  0.2482  0.0912  1.0
  In  In1  8  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  8  0.0000  0.0000  0.5000  1.0
]