data_[Al8O32]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3067]
_cell_length_b [6.5612]
_cell_length_c [9.9907]
_cell_angle_alpha [92.9654]
_cell_angle_beta [92.0132]
_cell_angle_gamma [90.6772]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlO4]
_chemical_formula_sum '[Al8 O32]'
_cell_volume [412.5600]
_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  1  0.1365  0.7142  0.8262  1
  Al  Al1  1  0.1764  0.2208  0.6816  1
  Al  Al2  1  0.2403  0.9536  0.3813  1
  Al  Al3  1  0.3652  0.1798  0.1152  1
  Al  Al4  1  0.6516  0.7648  0.8337  1
  Al  Al5  1  0.6892  0.3005  0.6757  1
  Al  Al6  1  0.8543  0.5999  0.3985  1
  Al  Al7  1  0.8673  0.3082  0.1244  1
  O  O8  1  0.0477  0.7858  0.4266  1
  O  O9  1  0.0644  0.9458  0.7240  1
  O  O10  1  0.0696  0.1781  0.3361  1
  O  O11  1  0.1211  0.2694  0.0678  1
  O  O12  1  0.1346  0.4673  0.7563  1
  O  O13  1  0.1610  0.6973  0.1607  1
  O  O14  1  0.2883  0.0611  0.9250  1
  O  O15  1  0.2979  0.5906  0.1111  1
  O  O16  1  0.2997  0.6124  0.5268  1
  O  O17  1  0.3288  0.0633  0.5490  1
  O  O18  1  0.3575  0.9855  0.2266  1
  O  O19  1  0.3630  0.1790  0.8334  1
  O  O20  1  0.3915  0.7869  0.8975  1
  O  O21  1  0.3935  0.6945  0.6239  1
  O  O22  1  0.4098  0.3797  0.2716  1
  O  O23  1  0.4300  0.2663  0.5823  1
  O  O24  1  0.4503  0.7315  0.3887  1
  O  O25  1  0.5861  0.3612  0.3393  1
  O  O26  1  0.5920  0.5435  0.7322  1
  O  O27  1  0.6246  0.2017  0.0675  1
  O  O28  1  0.6250  0.7945  0.1724  1
  O  O29  1  0.6352  0.7780  0.4523  1
  O  O30  1  0.6915  0.9970  0.7345  1
  O  O31  1  0.7443  0.8920  0.1066  1
  O  O32  1  0.7807  0.4302  0.9432  1
  O  O33  1  0.8493  0.3081  0.8480  1
  O  O34  1  0.8540  0.4456  0.5463  1
  O  O35  1  0.8621  0.8956  0.6576  1
  O  O36  1  0.8682  0.5285  0.2292  1
  O  O37  1  0.8851  0.1240  0.2708  1
  O  O38  1  0.9009  0.7359  0.9139  1
  O  O39  1  0.9205  0.2313  0.5718  1
]