data_[Mg12Pt8Au16]
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/c]
_cell_length_a [13.2016]
_cell_length_b [9.6824]
_cell_length_c [4.9755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg3(PtAu2)2]
_chemical_formula_sum '[Mg12 Pt8 Au16]'
_cell_volume [626.2127]
_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  0.1698  0.1312  0.5797  1
  Mg  Mg1  4  0.0000  0.3852  0.7500  1
  Pt  Pt2  8  0.1093  0.3715  0.3117  1
  Au  Au3  8  0.0553  0.1268  0.0277  1
  Au  Au4  8  0.2201  0.3799  0.8699  1
]