data_[Mg8Hg2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6498]
_cell_length_b [8.7424]
_cell_length_c [6.0091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Mg4HgAu]
_chemical_formula_sum '[Mg8 Hg2 Au2]'
_cell_volume [244.2741]
_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  2  0.0000  0.0334  0.4708  1.0
  Mg  Mg1  2  0.0000  0.3021  0.8050  1.0
  Mg  Mg2  2  0.5000  0.1790  0.1858  1.0
  Mg  Mg3  2  0.5000  0.4599  0.5416  1.0
  Hg  Hg4  2  0.0000  0.3674  0.2781  1.0
  Au  Au5  2  0.5000  0.1340  0.7187  1.0
]