data_[Cd24Hg4Pd12]
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 [Cmcm]
_cell_length_a [10.8957]
_cell_length_b [10.4645]
_cell_length_c [7.0717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cd6HgPd3]
_chemical_formula_sum '[Cd24 Hg4 Pd12]'
_cell_volume [806.3082]
_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  0.0000  0.1492  0.5226  1
  Cd  Cd1  8  0.1672  0.5000  0.0000  1
  Cd  Cd2  8  0.2328  0.2458  0.7500  1
  Hg  Hg3  4  0.0000  0.3497  0.2500  1
  Pd  Pd4  8  0.1405  0.0168  0.2500  1
  Pd  Pd5  4  0.0000  0.3722  0.7500  1
]