data_[Cd2In6Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.1364]
_cell_length_b [5.2791]
_cell_length_c [12.0490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd(InPb2)3]
_chemical_formula_sum '[Cd2 In6 Pb12]'
_cell_volume [623.9075]
_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  0.3082  0.2500  0.3184  1.0
  In  In1  2  0.1652  0.7500  0.8730  1.0
  In  In2  2  0.1911  0.2500  0.6873  1.0
  In  In3  2  0.4469  0.7500  0.7846  1.0
  Pb  Pb4  2  0.0318  0.2500  0.3993  1.0
  Pb  Pb5  2  0.1012  0.7500  0.2227  1.0
  Pb  Pb6  2  0.1303  0.2500  0.0448  1.0
  Pb  Pb7  2  0.2554  0.7500  0.5131  1.0
  Pb  Pb8  2  0.3990  0.2500  0.9436  1.0
  Pb  Pb9  2  0.4841  0.2500  0.6058  1.0
]