data_[Mg16Pt2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3401]
_cell_length_b [4.5760]
_cell_length_c [6.6516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8PtAu2]
_chemical_formula_sum '[Mg16 Pt2 Au4]'
_cell_volume [433.2090]
_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  0.0222  0.0000  0.7860  1.0
  Mg  Mg1  4  0.1024  0.5000  0.4335  1.0
  Mg  Mg2  4  0.1643  0.5000  0.9328  1.0
  Mg  Mg3  4  0.1874  0.0000  0.2646  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1805  0.0000  0.6755  1.0
]