data_[La4Al2Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3180]
_cell_length_b [3.7387]
_cell_length_c [7.4409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La2AlFe]
_chemical_formula_sum '[La4 Al2 Fe2]'
_cell_volume [219.7085]
_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  2  0.0772  0.0000  0.1055  1.0
  La  La1  2  0.2294  0.0000  0.6435  1.0
  Al  Al2  2  0.4478  0.0000  0.3741  1.0
  Fe  Fe3  2  0.2456  0.5000  0.3768  1.0
]