data_[Mg2Pd12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [8.9048]
_cell_length_b [4.0145]
_cell_length_c [8.4673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(Pd3Au)2]
_chemical_formula_sum '[Mg2 Pd12 Au4]'
_cell_volume [289.2711]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  4  0.0000  0.0000  0.8333  1.0
  Pd  Pd2  4  0.1654  0.5000  0.3887  1.0
  Pd  Pd3  4  0.1654  0.5000  0.0551  1.0
  Au  Au4  4  0.1682  0.5000  0.7228  1.0
]