data_[B8Pd4Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5156]
_cell_length_b [7.8673]
_cell_length_c [7.5638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [B2PdPt4]
_chemical_formula_sum '[B8 Pd4 Pt16]'
_cell_volume [392.1420]
_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
[
  B  B0  4  0.0000  0.0000  0.0000  1
  B  B1  4  0.2500  0.2500  0.5000  1
  Pd  Pd2  4  0.0000  0.4103  0.2500  1
  Pt  Pt3  8  0.0135  0.2503  0.9389  1
  Pt  Pt4  8  0.2042  0.0133  0.3525  1
]