data_[Pr16Ni4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0507]
_cell_length_b [14.5686]
_cell_length_c [6.1896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4NiPb]
_chemical_formula_sum '[Pr16 Ni4 Pb4]'
_cell_volume [739.0628]
_cell_formula_units_Z [4]
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  8  0.1155  0.1878  0.0767  1.0
  Pr  Pr1  8  0.2340  0.4288  0.3475  1.0
  Ni  Ni2  4  0.0000  0.0009  0.7500  1.0
  Pb  Pb3  4  0.0000  0.3822  0.7500  1.0
]