data_[Hg4Pd15Au1]
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 [P4/mmm]
_cell_length_a [4.0439]
_cell_length_b [4.0439]
_cell_length_c [20.2869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Hg4Pd15Au]
_chemical_formula_sum '[Hg4 Pd15 Au1]'
_cell_volume [331.7538]
_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  2  0.0000  0.0000  0.1983  1
  Hg  Hg1  2  0.0000  0.0000  0.3994  1
  Pd  Pd2  4  0.0000  0.5000  0.0978  1
  Pd  Pd3  4  0.0000  0.5000  0.2987  1
  Pd  Pd4  2  0.0000  0.5000  0.5000  1
  Pd  Pd5  2  0.5000  0.5000  0.1977  1
  Pd  Pd6  2  0.5000  0.5000  0.3992  1
  Pd  Pd7  1  0.5000  0.5000  0.0000  1
  Au  Au8  1  0.0000  0.0000  0.0000  1
]