data_[Cd4Pd5Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4458]
_cell_length_b [3.4458]
_cell_length_c [15.5149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Cd4Pd5Pb]
_chemical_formula_sum '[Cd4 Pd5 Pb1]'
_cell_volume [184.2164]
_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  2  0.0000  0.0000  0.2100  1.0
  Cd  Cd1  2  0.0000  0.0000  0.4035  1.0
  Pd  Pd2  2  0.5000  0.5000  0.1138  1.0
  Pd  Pd3  2  0.5000  0.5000  0.3077  1.0
  Pd  Pd4  1  0.5000  0.5000  0.5000  1.0
  Pb  Pb5  1  0.0000  0.0000  0.0000  1.0
]