data_[Ba8Sb20Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.4569]
_cell_length_b [14.5900]
_cell_length_c [7.1449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ba2Sb5Pt3]
_chemical_formula_sum '[Ba8 Sb20 Pt12]'
_cell_volume [1090.0672]
_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
[
  Ba  Ba0  8  0.2395  0.1271  0.0000  1.0
  Sb  Sb1  8  0.0000  0.2687  0.2500  1.0
  Sb  Sb2  8  0.1277  0.1044  0.5000  1.0
  Sb  Sb3  4  0.0000  0.5000  0.2500  1.0
  Pt  Pt4  8  0.1125  0.3823  0.0000  1.0
  Pt  Pt5  4  0.0000  0.0000  0.2500  1.0
]