data_[Mn8Pd20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.5179]
_cell_length_b [12.8155]
_cell_length_c [5.2640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Mn2Pd5Au3]
_chemical_formula_sum '[Mn8 Pd20 Au12]'
_cell_volume [709.5453]
_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
[
  Mn  Mn0  8  0.1452  0.1506  0.0000  1
  Pd  Pd1  8  0.1252  0.3421  0.0000  1
  Pd  Pd2  8  0.2467  0.5000  0.2500  1
  Pd  Pd3  4  0.0000  0.5000  0.2500  1
  Au  Au4  8  0.1168  0.2434  0.5000  1
  Au  Au5  4  0.0000  0.0000  0.2500  1
]