data_[Hg18Pd24]
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
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3896]
_cell_length_b [12.3896]
_cell_length_c [5.6414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Hg3Pd4]
_chemical_formula_sum '[Hg18 Pd24]'
_cell_volume [749.9439]
_cell_formula_units_Z [6]
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  18  0.0466  0.2323  0.6782  1.0
  Pd  Pd1  18  0.0485  0.2420  0.1722  1.0
  Pd  Pd2  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  3  0.0000  0.0000  0.5000  1.0
]