data_[Ca8Cd8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6957]
_cell_length_b [4.8284]
_cell_length_c [11.6325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Cd2Pb]
_chemical_formula_sum '[Ca8 Cd8 Pb4]'
_cell_volume [597.7921]
_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
[
  Ca  Ca0  4  0.0098  0.0000  0.3322  1.0
  Ca  Ca1  4  0.1847  0.0000  0.1041  1.0
  Cd  Cd2  4  0.0376  0.5000  0.8949  1.0
  Cd  Cd3  4  0.1354  0.5000  0.5504  1.0
  Pb  Pb4  4  0.2159  0.5000  0.3211  1.0
]