data_[Hg1Au1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0515]
_cell_length_b [6.2388]
_cell_length_c [7.8104]
_cell_angle_alpha [70.2268]
_cell_angle_beta [78.1490]
_cell_angle_gamma [63.3477]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgAuCl6]
_chemical_formula_sum '[Hg1 Au1 Cl6]'
_cell_volume [247.4993]
_cell_formula_units_Z [1]
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  0.5000  0.0000  0.5000  1.0
  Au  Au1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.0052  0.8986  0.7388  1.0
  Cl  Cl3  2  0.2899  0.4129  0.5039  1.0
  Cl  Cl4  2  0.4250  0.7900  0.9948  1.0
]