data_[Mn4Pd2Au6]
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 [Cmmm]
_cell_length_a [4.2048]
_cell_length_b [12.6230]
_cell_length_c [3.7790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mn2PdAu3]
_chemical_formula_sum '[Mn4 Pd2 Au6]'
_cell_volume [200.5792]
_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  4  0.0000  0.3389  0.0000  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  4  0.0000  0.1710  0.5000  1.0
  Au  Au3  2  0.0000  0.5000  0.5000  1.0
]