data_[La3Fe1Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.3296]
_cell_length_b [5.3296]
_cell_length_c [5.2688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [La3FePb]
_chemical_formula_sum '[La3 Fe1 Pb1]'
_cell_volume [149.6589]
_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  0.5000  0.5958  1.0
  La  La1  1  0.0000  0.0000  0.0873  1.0
  Fe  Fe2  1  0.0000  0.0000  0.6397  1.0
  Pb  Pb3  1  0.5000  0.5000  0.1022  1.0
]