data_[Y12O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1228]
_cell_length_b [3.5160]
_cell_length_c [8.6953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2O3]
_chemical_formula_sum '[Y12 O18]'
_cell_volume [424.6632]
_cell_formula_units_Z [6]
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  0.0320  0.0000  0.8140  1.0
  Y  Y1  4  0.1352  0.5000  0.4880  1.0
  Y  Y2  4  0.1914  0.5000  0.1373  1.0
  O  O3  4  0.0290  0.5000  0.6571  1.0
  O  O4  4  0.1280  0.0000  0.2818  1.0
  O  O5  4  0.1745  0.0000  0.9695  1.0
  O  O6  4  0.2067  0.0000  0.6226  1.0
  O  O7  2  0.0000  0.5000  0.0000  1.0
]