data_[B3Pt2O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4416]
_cell_length_b [3.0711]
_cell_length_c [4.8225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [B3Pt2O]
_chemical_formula_sum '[B3 Pt2 O1]'
_cell_volume [64.5901]
_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  1  0.1363  0.0000  0.6279  1
  B  B1  1  0.3192  0.5000  0.9159  1
  B  B2  1  0.7035  0.5000  0.9332  1
  Pt  Pt3  1  0.0406  0.0000  0.0640  1
  Pt  Pt4  1  0.4454  0.5000  0.5180  1
  O  O5  1  0.8550  0.0000  0.4410  1
]