data_[Ca8Cd4Pb8]
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 [11.9836]
_cell_length_b [4.9437]
_cell_length_c [11.5151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2CdPb2]
_chemical_formula_sum '[Ca8 Cd4 Pb8]'
_cell_volume [614.0572]
_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  0.0061  0.5000  0.3274  1.0
  Ca  Ca1  4  0.1755  0.5000  0.1008  1.0
  Cd  Cd2  4  0.2122  0.0000  0.3210  1.0
  Pb  Pb3  4  0.0435  0.0000  0.8897  1.0
  Pb  Pb4  4  0.1478  0.0000  0.5582  1.0
]