data_[Mg20Pd4Au4]
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/c]
_cell_length_a [11.0403]
_cell_length_b [8.4061]
_cell_length_c [8.8869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg5PdAu]
_chemical_formula_sum '[Mg20 Pd4 Au4]'
_cell_volume [766.6204]
_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
[
  Mg  Mg0  8  0.0076  0.3220  0.9558  1
  Mg  Mg1  8  0.2471  0.4658  0.3542  1
  Mg  Mg2  4  0.0000  0.1493  0.2500  1
  Pd  Pd3  4  0.0000  0.4531  0.2500  1
  Au  Au4  4  0.0000  0.0000  0.0000  1
]