data_[Hg2Bi2Au2]
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 [P1]
_cell_length_a [3.3750]
_cell_length_b [6.4716]
_cell_length_c [7.8392]
_cell_angle_alpha [74.5701]
_cell_angle_beta [78.5476]
_cell_angle_gamma [89.8572]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HgBiAu]
_chemical_formula_sum '[Hg2 Bi2 Au2]'
_cell_volume [161.5340]
_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  1  0.3152  0.7388  0.8610  1.0
  Hg  Hg1  1  0.5115  0.0008  0.4645  1.0
  Bi  Bi2  1  0.3602  0.3198  0.7568  1.0
  Bi  Bi3  1  0.6135  0.5784  0.3027  1.0
  Au  Au4  1  0.1756  0.2894  0.1617  1.0
  Au  Au5  1  0.7305  0.9958  0.0384  1.0
]