data_[Tl10Sb8]
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 [C2/m]
_cell_length_a [11.8433]
_cell_length_b [5.4762]
_cell_length_c [10.2696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5Sb4]
_chemical_formula_sum '[Tl10 Sb8]'
_cell_volume [572.7839]
_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  0.1543  0.5000  0.8749  1.0
  Tl  Tl1  4  0.1733  0.5000  0.5389  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.0285  0.0000  0.6576  1.0
  Sb  Sb4  4  0.1887  0.5000  0.2175  1.0
]