data_[Hg6Pd6Au4]
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 [Immm]
_cell_length_a [3.6737]
_cell_length_b [4.4072]
_cell_length_c [17.9628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hg3Pd3Au2]
_chemical_formula_sum '[Hg6 Pd6 Au4]'
_cell_volume [290.8326]
_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  4  0.0000  0.0000  0.3749  1.0
  Hg  Hg1  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  4  0.0000  0.0000  0.1225  1.0
  Pd  Pd3  2  0.0000  0.5000  0.0000  1.0
  Au  Au4  4  0.0000  0.5000  0.2506  1.0
]