data_[U8Al8Fe8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5552]
_cell_length_b [5.2350]
_cell_length_c [8.7110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [UAlFe]
_chemical_formula_sum '[U8 Al8 Fe8]'
_cell_volume [390.1349]
_cell_formula_units_Z [8]
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
[
  U  U0  4  0.2243  0.0000  0.6491  1
  U  U1  4  0.3216  0.0000  0.3422  1
  Al  Al2  4  0.0000  0.2473  0.9077  1
  Al  Al3  2  0.0000  0.0000  0.1581  1
  Al  Al4  2  0.5000  0.0000  0.8553  1
  Fe  Fe5  4  0.2461  0.0000  0.9947  1
  Fe  Fe6  4  0.5000  0.2471  0.1000  1
]