data_[B4Pd16Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8902]
_cell_length_b [5.6252]
_cell_length_c [12.7488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [BPd4Au]
_chemical_formula_sum '[B4 Pd16 Au4]'
_cell_volume [350.6975]
_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  0.1868  0.0000  0.5000  1.0
  Pd  Pd1  8  0.0000  0.2507  0.3857  1.0
  Pd  Pd2  4  0.0000  0.2439  0.0000  1.0
  Pd  Pd3  4  0.0000  0.5000  0.1898  1.0
  Au  Au4  4  0.0000  0.0000  0.1930  1.0
]