data_[Er2Al8Fe16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.4867]
_cell_length_b [8.4867]
_cell_length_c [4.9487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Er(AlFe2)4]
_chemical_formula_sum '[Er2 Al8 Fe16]'
_cell_volume [356.4189]
_cell_formula_units_Z [2]
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
[
  Er  Er0  2  0.0000  0.0000  0.0000  1.0
  Al  Al1  8  0.0000  0.3445  0.0000  1.0
  Fe  Fe2  8  0.0000  0.2297  0.5000  1.0
  Fe  Fe3  8  0.2500  0.2500  0.2500  1.0
]