data_[Mn2Pd12Au4]
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 [C2/m]
_cell_length_a [8.9188]
_cell_length_b [3.9926]
_cell_length_c [8.4523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(Pd3Au)2]
_chemical_formula_sum '[Mn2 Pd12 Au4]'
_cell_volume [286.5440]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  4  0.0009  0.0000  0.1692  1.0
  Pd  Pd2  4  0.1653  0.5000  0.0551  1.0
  Pd  Pd3  4  0.1661  0.5000  0.3907  1.0
  Au  Au4  4  0.1658  0.5000  0.7209  1.0
]