data_[B2P1Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5604]
_cell_length_b [5.6838]
_cell_length_c [5.9503]
_cell_angle_alpha [93.5083]
_cell_angle_beta [117.3294]
_cell_angle_gamma [91.1316]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [B2PPt8]
_chemical_formula_sum '[B2 P1 Pt8]'
_cell_volume [166.5073]
_cell_formula_units_Z [1]
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  2  0.4590  0.2481  0.3451  1
  P  P1  1  0.0000  0.0000  0.0000  1
  Pt  Pt2  2  0.2121  0.3534  0.9710  1
  Pt  Pt3  2  0.2273  0.4926  0.4583  1
  Pt  Pt4  2  0.2297  0.0020  0.4465  1
  Pt  Pt5  2  0.2848  0.8083  0.8808  1
]