data_[Mg8In4Pd4Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.2906]
_cell_length_b [8.2906]
_cell_length_c [10.6503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Mg2InPdAu5]
_chemical_formula_sum '[Mg8 In4 Pd4 Au20]'
_cell_volume [732.0319]
_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  0.1147  0.3853  0.5000  1
  In  In1  4  0.0000  0.0000  0.2500  1
  Pd  Pd2  4  0.0000  0.5000  0.2500  1
  Au  Au3  16  0.1977  0.3023  0.1315  1
  Au  Au4  4  0.0000  0.0000  0.0000  1
]