data_[Hg8Pd12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9256]
_cell_length_b [4.1113]
_cell_length_c [8.2993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2Pd3Au]
_chemical_formula_sum '[Hg8 Pd12 Au4]'
_cell_volume [427.5017]
_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  0.0861  0.5000  0.9367  1.0
  Hg  Hg1  4  0.2438  0.0000  0.6305  1.0
  Pd  Pd2  4  0.0791  0.0000  0.6990  1.0
  Pd  Pd3  4  0.0848  0.5000  0.4654  1.0
  Pd  Pd4  4  0.2448  0.0000  0.1213  1.0
  Au  Au5  4  0.0812  0.0000  0.2103  1.0
]