data_[Y24Al12O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.8066]
_cell_length_b [13.9548]
_cell_length_c [6.2096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y6Al3O]
_chemical_formula_sum '[Y24 Al12 O4]'
_cell_volume [1023.0832]
_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  0.1591  0.2940  0.7016  1.0
  Y  Y1  8  0.2259  0.4577  0.1819  1.0
  Y  Y2  4  0.0000  0.0862  0.4980  1.0
  Y  Y3  4  0.0000  0.3062  0.2112  1.0
  Al  Al4  8  0.1134  0.1220  0.0285  1.0
  Al  Al5  4  0.0000  0.4846  0.9122  1.0
  O  O6  4  0.0000  0.2494  0.5400  1.0
]