data_[La4Bi2Pb1I1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0781]
_cell_length_b [4.7097]
_cell_length_c [8.1085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4Bi2PbI]
_chemical_formula_sum '[La4 Bi2 Pb1 I1]'
_cell_volume [290.9010]
_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  0.2572  0.0000  0.7492  1.0
  La  La1  2  0.2627  0.5000  0.2584  1.0
  Bi  Bi2  1  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  1  0.5000  0.0000  0.5000  1.0
  Pb  Pb4  1  0.5000  0.5000  0.0000  1.0
  I  I5  1  0.0000  0.0000  0.0000  1.0
]