data_[Y2Cr2Fe22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6773]
_cell_length_b [8.3871]
_cell_length_c [8.5051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [YCrFe11]
_chemical_formula_sum '[Y2 Cr2 Fe22]'
_cell_volume [333.6479]
_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  0.9947  1.0
  Cr  Cr1  2  0.0000  0.0000  0.3657  1.0
  Fe  Fe2  8  0.2499  0.2484  0.2498  1.0
  Fe  Fe3  4  0.0000  0.2767  0.5008  1.0
  Fe  Fe4  4  0.0000  0.3586  0.0020  1.0
  Fe  Fe5  2  0.0000  0.0000  0.6339  1.0
  Fe  Fe6  2  0.0000  0.5000  0.2702  1.0
  Fe  Fe7  2  0.0000  0.5000  0.7309  1.0
]