data_[Tl7In1Bi3]
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 [P3m1]
_cell_length_a [6.8067]
_cell_length_b [6.8067]
_cell_length_c [9.1807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tl7InBi3]
_chemical_formula_sum '[Tl7 In1 Bi3]'
_cell_volume [368.3677]
_cell_formula_units_Z [1]
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  3  0.1652  0.3303  0.8859  1.0
  Tl  Tl1  3  0.3311  0.1655  0.5455  1.0
  Tl  Tl2  1  0.6667  0.3333  0.8898  1.0
  In  In3  1  0.3333  0.6667  0.5462  1.0
  Bi  Bi4  3  0.0123  0.5061  0.2183  1.0
]