data_[Cd2Hg6Pd12]
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 [P2_1/m]
_cell_length_a [7.8472]
_cell_length_b [4.7168]
_cell_length_c [9.9544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd(HgPd2)3]
_chemical_formula_sum '[Cd2 Hg6 Pd12]'
_cell_volume [348.1622]
_cell_formula_units_Z [2]
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  2  0.0566  0.2500  0.3893  1
  Hg  Hg1  2  0.2399  0.2500  0.9934  1
  Hg  Hg2  2  0.3471  0.7500  0.8034  1
  Hg  Hg3  2  0.4622  0.2500  0.5999  1
  Pd  Pd4  2  0.0473  0.7500  0.9046  1
  Pd  Pd5  2  0.1461  0.7500  0.2067  1
  Pd  Pd6  2  0.1500  0.2500  0.6881  1
  Pd  Pd7  2  0.2417  0.7500  0.5055  1
  Pd  Pd8  2  0.3498  0.2500  0.2927  1
  Pd  Pd9  2  0.4449  0.7500  0.1017  1
]