data_[Tl26Bi6]
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 [Amm2]
_cell_length_a [9.7634]
_cell_length_b [10.3590]
_cell_length_c [9.9729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tl13Bi3]
_chemical_formula_sum '[Tl26 Bi6]'
_cell_volume [1008.6424]
_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  8  0.2484  0.2494  0.7503  1
  Tl  Tl1  4  0.0000  0.2460  0.9980  1
  Tl  Tl2  4  0.2402  0.0000  0.5003  1
  Tl  Tl3  4  0.5000  0.2476  0.0016  1
  Tl  Tl4  2  0.0000  0.0000  0.2409  1
  Tl  Tl5  2  0.5000  0.0000  0.2555  1
  Tl  Tl6  2  0.5000  0.0000  0.7483  1
  Bi  Bi7  4  0.2524  0.0000  0.9975  1
  Bi  Bi8  2  0.0000  0.0000  0.7591  1
]