data_[Cd6Hg2Pb12]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.3241]
_cell_length_b [4.9593]
_cell_length_c [12.4682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3763]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd3HgPb6]
_chemical_formula_sum '[Cd6 Hg2 Pb12]'
_cell_volume [605.8216]
_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  0.1512  0.2500  0.0731  1.0
  Cd  Cd1  2  0.2564  0.7500  0.4896  1.0
  Cd  Cd2  2  0.3599  0.7500  0.1527  1.0
  Hg  Hg3  2  0.1855  0.2500  0.6890  1.0
  Pb  Pb4  2  0.0463  0.2500  0.4158  1.0
  Pb  Pb5  2  0.0946  0.7500  0.2260  1.0
  Pb  Pb6  2  0.1371  0.7500  0.8756  1.0
  Pb  Pb7  2  0.3848  0.2500  0.9566  1.0
  Pb  Pb8  2  0.4167  0.7500  0.7623  1.0
  Pb  Pb9  2  0.4577  0.2500  0.5797  1.0
]