data_[Zn3Hg18Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [9.6124]
_cell_length_b [9.6124]
_cell_length_c [13.5690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Zn(HgPd2)6]
_chemical_formula_sum '[Zn3 Hg18 Pd36]'
_cell_volume [1085.7736]
_cell_formula_units_Z [3]
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
[
  Zn  Zn0  3  0.0000  0.0000  0.0000  1
  Hg  Hg1  18  0.0722  0.5038  0.3193  1
  Pd  Pd2  18  0.0292  0.4671  0.1164  1
  Pd  Pd3  18  0.0529  0.8681  0.8533  1
]