data_[Mg4Ni2Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5475]
_cell_length_b [6.4097]
_cell_length_c [13.5988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg2NiAu8]
_chemical_formula_sum '[Mg4 Ni2 Au16]'
_cell_volume [396.3776]
_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  4  0.0000  0.5000  0.1929  1.0
  Ni  Ni1  2  0.0000  0.5000  0.5000  1.0
  Au  Au2  8  0.0000  0.2219  0.3643  1.0
  Au  Au3  4  0.0000  0.0000  0.1768  1.0
  Au  Au4  4  0.0000  0.2584  0.0000  1.0
]