data_[La4Pr16Pb2]
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/m]
_cell_length_a [18.8378]
_cell_length_b [5.0940]
_cell_length_c [8.2628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Pr8Pb]
_chemical_formula_sum '[La4 Pr16 Pb2]'
_cell_volume [767.5963]
_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
[
  La  La0  4  0.2232  0.0000  0.6327  1.0
  Pr  Pr1  4  0.0424  0.0000  0.7301  1.0
  Pr  Pr2  4  0.0892  0.5000  0.4379  1.0
  Pr  Pr3  4  0.1383  0.0000  0.1783  1.0
  Pr  Pr4  4  0.1757  0.5000  0.9082  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]