data_[Hg2Pd16Au4]
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 [10.1545]
_cell_length_b [9.1435]
_cell_length_c [4.7702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg(Pd4Au)2]
_chemical_formula_sum '[Hg2 Pd16 Au4]'
_cell_volume [425.7876]
_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  2  0.0000  0.0000  0.0000  1
  Pd  Pd1  8  0.0808  0.2523  0.7912  1
  Pd  Pd2  4  0.0690  0.5000  0.2886  1
  Pd  Pd3  4  0.2171  0.5000  0.8706  1
  Au  Au4  4  0.1547  0.0000  0.5596  1
]