data_[Tl14In4Bi4]
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 [Imm2]
_cell_length_a [5.7044]
_cell_length_b [13.0032]
_cell_length_c [9.5784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl7(InBi)2]
_chemical_formula_sum '[Tl14 In4 Bi4]'
_cell_volume [710.4838]
_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  0.0000  0.1460  0.6700  1.0
  Tl  Tl1  4  0.0000  0.1509  0.0775  1.0
  Tl  Tl2  4  0.0000  0.3649  0.8864  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5757  1.0
  In  In4  2  0.0000  0.0000  0.3658  1.0
  In  In5  2  0.0000  0.5000  0.1914  1.0
  Bi  Bi6  4  0.0000  0.2912  0.3727  1.0
]