data_[Hg12Bi4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.4381]
_cell_length_b [7.3353]
_cell_length_c [12.6908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Hg3BiAu]
_chemical_formula_sum '[Hg12 Bi4 Au4]'
_cell_volume [571.2979]
_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  4  0.1068  0.1825  0.0723  1.0
  Hg  Hg1  4  0.2902  0.4168  0.3112  1.0
  Hg  Hg2  4  0.4832  0.2241  0.5179  1.0
  Bi  Bi3  4  0.2432  0.1052  0.7411  1.0
  Au  Au4  4  0.1044  0.4172  0.6021  1.0
]