data_[Cd12Hg2Pd4]
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/m]
_cell_length_a [13.3012]
_cell_length_b [3.0521]
_cell_length_c [10.2420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd6HgPd2]
_chemical_formula_sum '[Cd12 Hg2 Pd4]'
_cell_volume [373.7509]
_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  4  0.0256  0.0000  0.6977  1
  Cd  Cd1  4  0.1679  0.5000  0.5518  1
  Cd  Cd2  4  0.2461  0.5000  0.8744  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  Pd  Pd4  4  0.1385  0.5000  0.2581  1
]