data_[Mn8Pd4Au8]
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 [Cmc2_1]
_cell_length_a [4.3796]
_cell_length_b [13.8927]
_cell_length_c [5.4859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mn2PdAu2]
_chemical_formula_sum '[Mn8 Pd4 Au8]'
_cell_volume [333.7882]
_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  4  0.0000  0.2025  0.3539  1.0
  Mn  Mn1  4  0.0000  0.4092  0.5614  1.0
  Pd  Pd2  4  0.0000  0.3883  0.0629  1.0
  Au  Au3  4  0.0000  0.0102  0.3021  1.0
  Au  Au4  4  0.0000  0.1912  0.8540  1.0
]