data_[Hg8Pd24Au8]
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/c]
_cell_length_a [11.9159]
_cell_length_b [8.0613]
_cell_length_c [9.2257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgPd3Au]
_chemical_formula_sum '[Hg8 Pd24 Au8]'
_cell_volume [698.6027]
_cell_formula_units_Z [8]
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  0.0000  0.0018  0.7500  1.0
  Hg  Hg1  4  0.0000  0.3693  0.2500  1.0
  Pd  Pd2  8  0.0790  0.1817  0.0593  1.0
  Pd  Pd3  8  0.2016  0.4988  0.6003  1.0
  Pd  Pd4  8  0.2077  0.8468  0.0873  1.0
  Au  Au5  8  0.1418  0.3150  0.8038  1.0
]