data_[La4Ce4Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3244]
_cell_length_b [6.6035]
_cell_length_c [7.8378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaCeFe]
_chemical_formula_sum '[La4 Ce4 Fe4]'
_cell_volume [323.0139]
_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  0.1521  0.6801  0.3972  1.0
  Ce  Ce1  4  0.3564  0.2013  0.6451  1.0
  Fe  Fe2  4  0.3430  0.0589  0.3134  1.0
]