data_[Ba8Y4Fe4O22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [8.2273]
_cell_length_b [12.3242]
_cell_length_c [6.1444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ba4Y2Fe2O11]
_chemical_formula_sum '[Ba8 Y4 Fe4 O22]'
_cell_volume [623.0098]
_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
[
  Ba  Ba0  4  0.2290  0.3929  0.7439  1
  Ba  Ba1  4  0.2379  0.1325  0.2266  1
  Y  Y2  2  0.0000  0.1257  0.7245  1
  Y  Y3  2  0.5000  0.3750  0.2435  1
  Fe  Fe4  2  0.0000  0.3618  0.2310  1
  Fe  Fe5  2  0.5000  0.1589  0.7206  1
  O  O6  4  0.2284  0.3718  0.2553  1
  O  O7  4  0.2922  0.1038  0.7324  1
  O  O8  2  0.0000  0.0152  0.4411  1
  O  O9  2  0.0000  0.2454  0.9985  1
  O  O10  2  0.0000  0.2637  0.4797  1
  O  O11  2  0.0000  0.4806  0.0388  1
  O  O12  2  0.5000  0.2135  0.4440  1
  O  O13  2  0.5000  0.2492  0.9581  1
  O  O14  2  0.5000  0.4848  0.5239  1
]