data_[Ce12Pr8Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.0530]
_cell_length_b [17.8919]
_cell_length_c [9.4183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce3(PrPb2)2]
_chemical_formula_sum '[Ce12 Pr8 Pb16]'
_cell_volume [1188.5196]
_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
[
  Ce  Ce0  8  0.2500  0.2067  0.7500  1
  Ce  Ce1  4  0.0000  0.0000  0.0000  1
  Pr  Pr2  8  0.0000  0.1108  0.4165  1
  Pb  Pb3  8  0.0000  0.1804  0.0568  1
  Pb  Pb4  8  0.2500  0.0308  0.7500  1
]