data_[Th20Re8Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Re  1.9000  1.3500  0.7125
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.1225]
_cell_length_b [8.1225]
_cell_length_c [13.4373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Th5Re2Sb]
_chemical_formula_sum '[Th20 Re8 Sb4]'
_cell_volume [886.5328]
_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
[
  Th  Th0  16  0.1572  0.3428  0.1350  1
  Th  Th1  4  0.0000  0.0000  0.0000  1
  Re  Re2  8  0.1389  0.6389  0.0000  1
  Sb  Sb3  4  0.0000  0.0000  0.2500  1
]