data_[Tl12Bi4Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9621]
_cell_length_b [14.1097]
_cell_length_c [8.7550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tl6Bi2Sb]
_chemical_formula_sum '[Tl12 Bi4 Sb2]'
_cell_volume [612.9676]
_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  0.1283  0.1301  1.0
  Tl  Tl1  4  0.5000  0.2041  0.7967  1.0
  Tl  Tl2  2  0.0000  0.0000  0.7539  1.0
  Tl  Tl3  2  0.5000  0.0000  0.3978  1.0
  Bi  Bi4  4  0.0000  0.1634  0.4957  1.0
  Sb  Sb5  2  0.5000  0.0000  0.0031  1.0
]