data_[Mg10Pd16Au2]
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 [I-4]
_cell_length_a [7.7572]
_cell_length_b [7.7572]
_cell_length_c [7.8681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Mg5Pd8Au]
_chemical_formula_sum '[Mg10 Pd16 Au2]'
_cell_volume [473.4566]
_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  8  0.1296  0.7741  0.9046  1
  Mg  Mg1  2  0.0000  0.0000  0.5000  1
  Pd  Pd2  8  0.0718  0.6669  0.5836  1
  Pd  Pd3  8  0.0922  0.8359  0.2342  1
  Au  Au4  2  0.0000  0.5000  0.2500  1
]