data_[Y12Ti4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.0730]
_cell_length_b [10.8853]
_cell_length_c [5.4768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y3TiO6]
_chemical_formula_sum '[Y12 Ti4 O24]'
_cell_volume [540.9085]
_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  8  0.1979  0.1073  0.0288  1.0
  Y  Y1  4  0.0000  0.3965  0.0799  1.0
  Ti  Ti2  4  0.0000  0.1596  0.5098  1.0
  O  O3  8  0.1503  0.2485  0.3398  1.0
  O  O4  8  0.1565  0.4854  0.8029  1.0
  O  O5  4  0.0000  0.0151  0.2434  1.0
  O  O6  4  0.0000  0.2208  0.8387  1.0
]