data_[Cd2Fe1Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2847]
_cell_length_b [4.5402]
_cell_length_c [5.9412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cd2FePb]
_chemical_formula_sum '[Cd2 Fe1 Pb1]'
_cell_volume [86.7542]
_cell_formula_units_Z [1]
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  1  0.1200  0.0000  0.0640  1
  Cd  Cd1  1  0.6865  0.5000  0.2292  1
  Fe  Fe2  1  0.8320  0.0000  0.5163  1
  Pb  Pb3  1  0.3615  0.5000  0.6905  1
]