data_[B10Pd2Pt16]
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/m]
_cell_length_a [17.3933]
_cell_length_b [3.3978]
_cell_length_c [6.5100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [B5PdPt8]
_chemical_formula_sum '[B10 Pd2 Pt16]'
_cell_volume [367.8808]
_cell_formula_units_Z [2]
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  0.1286  0.5000  0.1914  1
  B  B1  4  0.1966  0.5000  0.7822  1
  B  B2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  2  0.0000  0.5000  0.0000  1
  Pt  Pt4  4  0.0718  0.5000  0.6664  1
  Pt  Pt5  4  0.0914  0.0000  0.3301  1
  Pt  Pt6  4  0.1691  0.0000  0.9997  1
  Pt  Pt7  4  0.2436  0.0000  0.6651  1
]