data_[Y4Fe8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [17.1656]
_cell_length_b [3.5218]
_cell_length_c [6.0881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y(FeO2)2]
_chemical_formula_sum '[Y4 Fe8 O16]'
_cell_volume [365.9116]
_cell_formula_units_Z [4]
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  0.2433  0.5000  0.7448  1.0
  Fe  Fe1  4  0.0685  0.0000  0.8638  1.0
  Fe  Fe2  4  0.0712  0.5000  0.3564  1.0
  O  O3  4  0.0535  0.0000  0.1777  1.0
  O  O4  4  0.0646  0.5000  0.6988  1.0
  O  O5  4  0.1824  0.0000  0.9100  1.0
  O  O6  4  0.1910  0.5000  0.3855  1.0
]