data_[Y8Al8Fe8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.7580]
_cell_length_b [5.4184]
_cell_length_c [9.2397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YAlFe]
_chemical_formula_sum '[Y8 Al8 Fe8]'
_cell_volume [438.4594]
_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
[
  Y  Y0  4  0.1765  0.0000  0.3312  1.0
  Y  Y1  4  0.3049  0.0000  0.6663  1.0
  Al  Al2  4  0.2333  0.0000  0.0048  1.0
  Al  Al3  4  0.5000  0.2478  0.4128  1.0
  Fe  Fe4  4  0.0000  0.2306  0.5887  1.0
  Fe  Fe5  2  0.0000  0.0000  0.8264  1.0
  Fe  Fe6  2  0.5000  0.0000  0.1660  1.0
]