data_[Cu2Pd16Pb4]
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 [14.4832]
_cell_length_b [4.2078]
_cell_length_c [6.4212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu(Pd4Pb)2]
_chemical_formula_sum '[Cu2 Pd16 Pb4]'
_cell_volume [370.6766]
_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  0.0000  0.5000  0.0000  1.0
  Pd  Pd1  4  0.0336  0.0000  0.7362  1.0
  Pd  Pd2  4  0.0886  0.5000  0.4425  1.0
  Pd  Pd3  4  0.1421  0.0000  0.1905  1.0
  Pd  Pd4  4  0.1666  0.5000  0.9106  1.0
  Pb  Pb5  4  0.2131  0.0000  0.6654  1.0
]