data_[Tl13Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7669]
_cell_length_b [8.0193]
_cell_length_c [9.2943]
_cell_angle_alpha [70.4864]
_cell_angle_beta [81.1786]
_cell_angle_gamma [82.5048]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl13Sb2]
_chemical_formula_sum '[Tl13 Sb2]'
_cell_volume [468.0620]
_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  0.1270  0.7713  0.4696  1.0
  Tl  Tl1  2  0.1940  0.1869  0.2114  1.0
  Tl  Tl2  2  0.2687  0.5973  0.9381  1.0
  Tl  Tl3  2  0.3285  0.9926  0.6592  1.0
  Tl  Tl4  2  0.3740  0.4013  0.4110  1.0
  Tl  Tl5  2  0.4783  0.7997  0.1384  1.0
  Tl  Tl6  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb7  2  0.0760  0.3950  0.7465  1.0
]