data_[Tl6Bi6]
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
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.3549]
_cell_length_b [5.6351]
_cell_length_c [6.9982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TlBi]
_chemical_formula_sum '[Tl6 Bi6]'
_cell_volume [408.3453]
_cell_formula_units_Z [6]
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  0.1727  0.2299  0.6697  1.0
  Tl  Tl1  2  0.0000  0.7530  0.4157  1.0
  Bi  Bi2  4  0.1518  0.2855  0.1671  1.0
  Bi  Bi3  2  0.0000  0.6697  0.9126  1.0
]