data_[B3Pd3Pt3Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2406]
_cell_length_b [3.2406]
_cell_length_c [19.5161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BPdPtAu]
_chemical_formula_sum '[B3 Pd3 Pt3 Au3]'
_cell_volume [177.4940]
_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  0.7275  1.0
  Pd  Pd1  3  0.0000  0.0000  0.3324  1.0
  Pt  Pt2  3  0.0000  0.0000  0.1106  1.0
  Au  Au3  3  0.0000  0.0000  0.5555  1.0
]