data_[B4Pt12Au4]
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 [P2_1/c]
_cell_length_a [7.5821]
_cell_length_b [5.1186]
_cell_length_c [7.7266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BPt3Au]
_chemical_formula_sum '[B4 Pt12 Au4]'
_cell_volume [296.8368]
_cell_formula_units_Z [4]
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  0.0722  0.7381  0.4389  1.0
  Pt  Pt1  4  0.0737  0.5697  0.1864  1.0
  Pt  Pt2  4  0.1980  0.0842  0.0735  1.0
  Pt  Pt3  4  0.3206  0.5781  0.9333  1.0
  Au  Au4  4  0.4389  0.0879  0.8161  1.0
]