data_[Mg4Pd4Au4]
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]
_cell_length_a [5.0094]
_cell_length_b [8.5597]
_cell_length_c [5.1393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MgPdAu]
_chemical_formula_sum '[Mg4 Pd4 Au4]'
_cell_volume [204.1391]
_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  2  0.0000  0.1827  0.0000  1.0
  Mg  Mg1  2  0.0000  0.3875  0.5000  1.0
  Pd  Pd2  2  0.0000  0.5201  0.0000  1.0
  Pd  Pd3  2  0.0000  0.7109  0.5000  1.0
  Au  Au4  2  0.0000  0.0463  0.5000  1.0
  Au  Au5  2  0.0000  0.8531  0.0000  1.0
]