data_[B3Pt6Au3]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2451]
_cell_length_b [3.2451]
_cell_length_c [19.5554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BPt2Au]
_chemical_formula_sum '[B3 Pt6 Au3]'
_cell_volume [178.3450]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6675  1.0
  Pt  Pt1  3  0.0000  0.0000  0.0559  1.0
  Pt  Pt2  3  0.0000  0.0000  0.2767  1.0
  Au  Au3  3  0.0000  0.0000  0.4999  1.0
]