data_[Cd12Hg4Pd4]
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/c]
_cell_length_a [6.0467]
_cell_length_b [7.6774]
_cell_length_c [9.7131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd3HgPd]
_chemical_formula_sum '[Cd12 Hg4 Pd4]'
_cell_volume [438.8388]
_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  4  0.0660  0.1556  0.5997  1.0
  Cd  Cd1  4  0.1385  0.0437  0.8994  1.0
  Cd  Cd2  4  0.4087  0.0142  0.2239  1.0
  Hg  Hg3  4  0.4589  0.7134  0.9908  1.0
  Pd  Pd4  4  0.1831  0.6954  0.1927  1.0
]