data_[Hg8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.9150]
_cell_length_b [2.8905]
_cell_length_c [8.4962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Hg2Au]
_chemical_formula_sum '[Hg8 Au4]'
_cell_volume [320.6229]
_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
[
  Hg  Hg0  2  0.1120  0.5000  0.3942  1.0
  Hg  Hg1  2  0.1544  0.5000  0.9915  1.0
  Hg  Hg2  2  0.3319  0.0000  0.6664  1.0
  Hg  Hg3  2  0.4111  0.5000  0.4042  1.0
  Au  Au4  2  0.3305  0.0000  0.0277  1.0
  Au  Au5  2  0.4934  0.5000  0.0160  1.0
]