data_[Tl13Bi2]
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 [P-1]
_cell_length_a [6.0549]
_cell_length_b [8.3718]
_cell_length_c [9.8791]
_cell_angle_alpha [106.2105]
_cell_angle_beta [94.7172]
_cell_angle_gamma [95.0339]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl13Bi2]
_chemical_formula_sum '[Tl13 Bi2]'
_cell_volume [476.0242]
_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  2  0.1255  0.2632  0.8007  1.0
  Tl  Tl1  2  0.2053  0.3954  0.2014  1.0
  Tl  Tl2  2  0.2710  0.5321  0.6014  1.0
  Tl  Tl3  2  0.3321  0.6621  0.9987  1.0
  Tl  Tl4  2  0.4039  0.7975  0.4009  1.0
  Tl  Tl5  2  0.4686  0.9392  0.7993  1.0
  Tl  Tl6  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi7  2  0.0591  0.1296  0.4000  1.0
]