data_[Pr16Cu2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1088]
_cell_length_b [5.2224]
_cell_length_c [7.0505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8CuPb2]
_chemical_formula_sum '[Pr16 Cu2 Pb4]'
_cell_volume [713.8904]
_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
[
  Pr  Pr0  4  0.0132  0.0000  0.7828  1.0
  Pr  Pr1  4  0.0905  0.5000  0.4729  1.0
  Pr  Pr2  4  0.1484  0.5000  0.9996  1.0
  Pr  Pr3  4  0.2141  0.0000  0.3194  1.0
  Cu  Cu4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.1799  0.0000  0.7567  1.0
]