data_[Hg3Ge3Au6]
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 [R3m]
_cell_length_a [3.4695]
_cell_length_b [3.4695]
_cell_length_c [23.8953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [HgGeAu2]
_chemical_formula_sum '[Hg3 Ge3 Au6]'
_cell_volume [249.1081]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4996  1
  Ge  Ge1  3  0.0000  0.0000  0.6672  1
  Au  Au2  3  0.0000  0.0000  0.0757  1
  Au  Au3  3  0.0000  0.0000  0.2574  1
]