data_[Tl4Sb20]
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 [Pmc2_1]
_cell_length_a [7.9799]
_cell_length_b [7.5595]
_cell_length_c [14.3100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TlSb5]
_chemical_formula_sum '[Tl4 Sb20]'
_cell_volume [863.2286]
_cell_formula_units_Z [4]
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  0.0000  0.0074  0.8410  1
  Tl  Tl1  2  0.5000  0.2495  0.9922  1
  Sb  Sb2  4  0.2526  0.3861  0.7786  1
  Sb  Sb3  4  0.2536  0.1414  0.6205  1
  Sb  Sb4  2  0.0000  0.2892  0.5026  1
  Sb  Sb5  2  0.0000  0.3400  0.0284  1
  Sb  Sb6  2  0.0000  0.3646  0.2248  1
  Sb  Sb7  2  0.5000  0.0927  0.3464  1
  Sb  Sb8  2  0.5000  0.3178  0.5070  1
  Sb  Sb9  2  0.5000  0.3702  0.2112  1
]