data_[La24Pr8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.0891]
_cell_length_b [6.3671]
_cell_length_c [12.3669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3PrPb]
_chemical_formula_sum '[La24 Pr8 Pb8]'
_cell_volume [1346.4170]
_cell_formula_units_Z [8]
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
[
  La  La0  8  0.0527  0.2733  0.5070  1.0
  La  La1  8  0.0944  0.0971  0.2490  1.0
  La  La2  8  0.2041  0.4475  0.7438  1.0
  Pr  Pr3  8  0.1508  0.2289  0.9945  1.0
  Pb  Pb4  4  0.0000  0.4091  0.7500  1.0
  Pb  Pb5  4  0.2500  0.2500  0.5000  1.0
]