data_[Hg6Ge8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.9422]
_cell_length_b [12.2489]
_cell_length_c [13.6547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hg3(GeAu)4]
_chemical_formula_sum '[Hg6 Ge8 Au8]'
_cell_volume [492.1021]
_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
[
  Hg  Hg0  4  0.0000  0.5000  0.3897  1
  Hg  Hg1  2  0.0000  0.0000  0.5000  1
  Ge  Ge2  8  0.0000  0.2081  0.3240  1
  Au  Au3  4  0.0000  0.0000  0.2977  1
  Au  Au4  4  0.0000  0.2816  0.5000  1
]