data_[B16Ru16Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.6793]
_cell_length_b [10.3603]
_cell_length_c [6.6741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [BRuPt]
_chemical_formula_sum '[B16 Ru16 Pt16]'
_cell_volume [600.1313]
_cell_formula_units_Z [16]
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  16  0.0537  0.2693  0.4715  1.0
  Ru  Ru1  16  0.0202  0.3705  0.7471  1.0
  Pt  Pt2  16  0.0750  0.3807  0.1698  1.0
]