data_[Zn4Hg2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1459]
_cell_length_b [3.5287]
_cell_length_c [4.6322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn2HgAu]
_chemical_formula_sum '[Zn4 Hg2 Au2]'
_cell_volume [145.8032]
_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
[
  Zn  Zn0  2  0.0069  0.0000  0.0043  1
  Zn  Zn1  2  0.2529  0.5000  0.2767  1
  Hg  Hg2  2  0.2516  0.0000  0.7731  1
  Au  Au3  2  0.4886  0.0000  0.4460  1
]