data_[Cd2As2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2126]
_cell_length_b [4.2638]
_cell_length_c [7.4371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdAsPb]
_chemical_formula_sum '[Cd2 As2 Pb2]'
_cell_volume [165.2930]
_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  0.2916  0.7500  0.0449  1.0
  As  As1  2  0.0509  0.2500  0.2486  1.0
  Pb  Pb2  2  0.2847  0.2500  0.6212  1.0
]