data_[Al8O8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6473]
_cell_length_b [14.7828]
_cell_length_c [5.0025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlOF3]
_chemical_formula_sum '[Al8 O8 F24]'
_cell_volume [630.2937]
_cell_formula_units_Z [8]
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
[
  Al  Al0  4  0.0000  0.1678  0.7500  1
  Al  Al1  4  0.0000  0.1684  0.2500  1
  O  O2  8  0.0722  0.5000  0.0210  1
  F  F3  8  0.0766  0.2492  0.0218  1
  F  F4  8  0.0832  0.0895  0.0247  1
  F  F5  8  0.1598  0.1661  0.5464  1
]