data_[La4Pb2I3]
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 [P-3m1]
_cell_length_a [4.7010]
_cell_length_b [4.7010]
_cell_length_c [18.7175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [La4Pb2I3]
_chemical_formula_sum '[La4 Pb2 I3]'
_cell_volume [358.2200]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2969  1
  La  La1  2  0.3333  0.6667  0.8930  1
  Pb  Pb2  2  0.3333  0.6667  0.2008  1
  I  I3  2  0.3333  0.6667  0.5998  1
  I  I4  1  0.0000  0.0000  0.0000  1
]