data_[La3U18Fe36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  U  1.3800  1.7500  0.9913
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.7377]
_cell_length_b [11.7377]
_cell_length_c [7.8696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La(UFe2)6]
_chemical_formula_sum '[La3 U18 Fe36]'
_cell_volume [938.9655]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  U  U1  18  0.1043  0.5522  0.3327  1
  Fe  Fe2  18  0.0000  0.3489  0.5000  1
  Fe  Fe3  18  0.1103  0.2207  0.3080  1
]