data_[Hg21Pd3Cl36]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.6358]
_cell_length_b [14.6358]
_cell_length_c [9.8642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Hg7PdCl12]
_chemical_formula_sum '[Hg21 Pd3 Cl36]'
_cell_volume [1829.8771]
_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
[
  Hg  Hg0  18  0.0570  0.8785  0.8388  1
  Hg  Hg1  3  0.0000  0.0000  0.5000  1
  Pd  Pd2  3  0.0000  0.0000  0.0000  1
  Cl  Cl3  18  0.0374  0.4463  0.6364  1
  Cl  Cl4  18  0.0859  0.9136  0.3352  1
]