data_[Ba8B16Pt20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.0046]
_cell_length_b [10.9114]
_cell_length_c [11.1623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2B4Pt5]
_chemical_formula_sum '[Ba8 B16 Pt20]'
_cell_volume [731.3437]
_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  0.0000  0.1525  0.0000  1
  B  B1  16  0.0000  0.1225  0.3348  1
  Pt  Pt2  8  0.2500  0.0000  0.2500  1
  Pt  Pt3  8  0.2500  0.2500  0.2500  1
  Pt  Pt4  4  0.0000  0.0000  0.5000  1
]