data_[Cu4Pd16Pb2]
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 [C2/m]
_cell_length_a [14.0583]
_cell_length_b [4.0258]
_cell_length_c [6.2524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2Pd8Pb]
_chemical_formula_sum '[Cu4 Pd16 Pb2]'
_cell_volume [339.8358]
_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  4  0.2270  0.0000  0.6396  1.0
  Pd  Pd1  4  0.0485  0.0000  0.7245  1.0
  Pd  Pd2  4  0.0987  0.5000  0.4670  1.0
  Pd  Pd3  4  0.1456  0.0000  0.2049  1.0
  Pd  Pd4  4  0.1844  0.5000  0.9175  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]