data_[Hg1Pd4Au5]
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 [P-1]
_cell_length_a [4.8224]
_cell_length_b [5.7650]
_cell_length_c [6.7037]
_cell_angle_alpha [75.9656]
_cell_angle_beta [74.1051]
_cell_angle_gamma [78.8661]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgPd4Au5]
_chemical_formula_sum '[Hg1 Pd4 Au5]'
_cell_volume [172.2875]
_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  0.0000  1
  Pd  Pd1  2  0.1005  0.8967  0.7999  1
  Pd  Pd2  2  0.3028  0.6994  0.3998  1
  Au  Au3  2  0.0967  0.4012  0.7955  1
  Au  Au4  2  0.2959  0.1973  0.4078  1
  Au  Au5  1  0.5000  0.5000  0.0000  1
]