data_[La4Al12Fe8]
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 [Cmcm]
_cell_length_a [10.1157]
_cell_length_b [8.1316]
_cell_length_c [5.1096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaAl3Fe2]
_chemical_formula_sum '[La4 Al12 Fe8]'
_cell_volume [420.2970]
_cell_formula_units_Z [4]
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  0.0000  0.3432  0.2500  1.0
  Al  Al1  8  0.1987  0.2702  0.7500  1.0
  Al  Al2  4  0.0000  0.0514  0.7500  1.0
  Fe  Fe3  8  0.2082  0.0000  0.0000  1.0
]