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 [C2/m]
_cell_length_a [5.6517]
_cell_length_b [9.8485]
_cell_length_c [5.5560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BPt3Au]
_chemical_formula_sum '[B4 Pt12 Au4]'
_cell_volume [299.3026]
_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  0.0000  0.3353  0.5000  1.0
  Pt  Pt1  8  0.1833  0.2495  0.2338  1.0
  Pt  Pt2  4  0.0633  0.5000  0.7677  1.0
  Au  Au3  4  0.0657  0.0000  0.7651  1.0
]