data_[B8Pd12Pt16]
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 [13.0296]
_cell_length_b [7.8734]
_cell_length_c [5.4105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0831]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [B2Pd3Pt4]
_chemical_formula_sum '[B8 Pd12 Pt16]'
_cell_volume [510.6185]
_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  8  0.2295  0.1602  0.8663  1.0
  Pd  Pd1  8  0.1028  0.1159  0.4748  1.0
  Pd  Pd2  4  0.0000  0.4387  0.2500  1.0
  Pt  Pt3  8  0.0973  0.2387  0.9773  1.0
  Pt  Pt4  8  0.1992  0.4360  0.6965  1.0
]