data_[Sb12Pd4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3307]
_cell_length_b [6.3639]
_cell_length_c [13.0824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sb3PdAu]
_chemical_formula_sum '[Sb12 Pd4 Au4]'
_cell_volume [468.9217]
_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
[
  Sb  Sb0  4  0.0228  0.5812  0.3582  1.0
  Sb  Sb1  4  0.2959  0.0955  0.6115  1.0
  Sb  Sb2  4  0.4576  0.5936  0.6138  1.0
  Pd  Pd3  4  0.2648  0.7351  0.2449  1.0
  Au  Au4  4  0.2245  0.0823  0.3863  1.0
]