data_[Y2Al18Fe6]
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 [C2/m]
_cell_length_a [5.0485]
_cell_length_b [12.5331]
_cell_length_c [6.6946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y(Al3Fe)3]
_chemical_formula_sum '[Y2 Al18 Fe6]'
_cell_volume [394.1694]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1.0
  Al  Al1  8  0.0961  0.6124  0.2137  1.0
  Al  Al2  8  0.1774  0.1767  0.3374  1.0
  Al  Al3  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe4  4  0.2500  0.2500  0.0000  1.0
  Fe  Fe5  2  0.0000  0.5000  0.5000  1.0
]