data_[Cu2Pd2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [3.4176]
_cell_length_b [3.4176]
_cell_length_c [9.3545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CuPdPb]
_chemical_formula_sum '[Cu2 Pd2 Pb2]'
_cell_volume [109.2630]
_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
[
  Cu  Cu0  2  0.5000  0.5000  0.3683  1
  Pd  Pd1  1  0.0000  0.0000  0.5000  1
  Pd  Pd2  1  0.5000  0.5000  0.0000  1
  Pb  Pb3  2  0.0000  0.0000  0.1898  1
]