data_[Cd4Hg2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5976]
_cell_length_b [4.6287]
_cell_length_c [6.8046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd2HgAu]
_chemical_formula_sum '[Cd4 Hg2 Au2]'
_cell_volume [173.9449]
_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
[
  Cd  Cd0  2  0.1735  0.2500  0.4563  1
  Cd  Cd1  2  0.1932  0.2500  0.9416  1
  Hg  Hg2  2  0.3275  0.7500  0.2178  1
  Au  Au3  2  0.3388  0.7500  0.7070  1
]