data_[La8Pb4I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0155]
_cell_length_b [6.7065]
_cell_length_c [10.8902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La4Pb2I]
_chemical_formula_sum '[La8 Pb4 I2]'
_cell_volume [491.0957]
_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  0.4689  0.0103  0.7279  1
  La  La1  2  0.0449  0.7500  0.8488  1
  La  La2  2  0.1105  0.7500  0.4557  1
  Pb  Pb3  2  0.2900  0.2500  0.4426  1
  Pb  Pb4  2  0.4200  0.2500  0.9978  1
  I  I5  2  0.1050  0.7500  0.1589  1
]