data_[Cd16Hg4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9642]
_cell_length_b [12.3187]
_cell_length_c [5.7213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd4HgPd]
_chemical_formula_sum '[Cd16 Hg4 Pd4]'
_cell_volume [527.6807]
_cell_formula_units_Z [4]
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
[
  Cd  Cd0  8  0.1051  0.1850  0.0562  1.0
  Cd  Cd1  8  0.2108  0.4020  0.3614  1.0
  Hg  Hg2  4  0.0000  0.3909  0.7500  1.0
  Pd  Pd3  4  0.0000  0.0005  0.2500  1.0
]