data_[Al32O48]
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 [6.1925]
_cell_length_b [7.4418]
_cell_length_c [21.2882]
_cell_angle_alpha [81.4807]
_cell_angle_beta [87.2854]
_cell_angle_gamma [65.4414]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Al2O3]
_chemical_formula_sum '[Al32 O48]'
_cell_volume [882.3380]
_cell_formula_units_Z [16]
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  0.0395  0.3343  0.1093  1
  Al  Al1  1  0.1360  0.6192  0.5671  1
  Al  Al2  1  0.1595  0.0426  0.7814  1
  Al  Al3  1  0.1615  0.2479  0.6234  1
  Al  Al4  1  0.2298  0.5854  0.4000  1
  Al  Al5  1  0.2600  0.1240  0.9098  1
  Al  Al6  1  0.2807  0.5275  0.9431  1
  Al  Al7  1  0.3085  0.9614  0.3227  1
  Al  Al8  1  0.3088  0.9457  0.5179  1
  Al  Al9  1  0.3958  0.7558  0.2066  1
  Al  Al10  1  0.4000  0.5878  0.7974  1
  Al  Al11  1  0.4776  0.0977  0.1805  1
  Al  Al12  1  0.4790  0.1085  0.4159  1
  Al  Al13  1  0.4799  0.4795  0.0912  1
  Al  Al14  1  0.5569  0.8195  0.0604  1
  Al  Al15  1  0.5574  0.7988  0.6967  1
  Al  Al16  1  0.5910  0.4786  0.6006  1
  Al  Al17  1  0.6740  0.0957  0.5840  1
  Al  Al18  1  0.6993  0.9137  0.8314  1
  Al  Al19  1  0.7196  0.6070  0.3841  1
  Al  Al20  1  0.7442  0.3053  0.7168  1
  Al  Al21  1  0.7672  0.2678  0.8653  1
  Al  Al22  1  0.7677  0.3275  0.2318  1
  Al  Al23  1  0.7971  0.4728  0.9833  1
  Al  Al24  1  0.8277  0.8382  0.4830  1
  Al  Al25  1  0.8418  0.9368  0.9522  1
  Al  Al26  1  0.8558  0.9116  0.2974  1
  Al  Al27  1  0.8761  0.4000  0.5045  1
  Al  Al28  1  0.9275  0.1165  0.4083  1
  Al  Al29  1  0.9770  0.6447  0.1946  1
  Al  Al30  1  0.9918  0.4768  0.7744  1
  Al  Al31  1  0.9975  0.8929  0.0947  1
  O  O32  1  0.0467  0.7547  0.9070  1
  O  O33  1  0.0470  0.3149  0.8495  1
  O  O34  1  0.0683  0.2546  0.7180  1
  O  O35  1  0.1165  0.1653  0.5481  1
  O  O36  1  0.1171  0.3772  0.9697  1
  O  O37  1  0.1217  0.7453  0.2424  1
  O  O38  1  0.1273  0.6243  0.4798  1
  O  O39  1  0.2422  0.0143  0.4302  1
  O  O40  1  0.2737  0.4636  0.7628  1
  O  O41  1  0.2992  0.7449  0.0734  1
  O  O42  1  0.3085  0.8231  0.7473  1
  O  O43  1  0.3175  0.4090  0.6195  1
  O  O44  1  0.3224  0.9984  0.2378  1
  O  O45  1  0.3514  0.2974  0.1133  1
  O  O46  1  0.3675  0.7173  0.5648  1
  O  O47  1  0.3831  0.9740  0.8401  1
  O  O48  1  0.4049  0.7110  0.3604  1
  O  O49  1  0.4174  0.3500  0.3900  1
  O  O50  1  0.4390  0.8768  0.9726  1
  O  O51  1  0.4667  0.0147  0.6393  1
  O  O52  1  0.4878  0.4960  0.8802  1
  O  O53  1  0.5089  0.8913  0.1389  1
  O  O54  1  0.5178  0.4488  0.0028  1
  O  O55  1  0.5199  0.5030  0.1785  1
  O  O56  1  0.5374  0.0328  0.5033  1
  O  O57  1  0.5611  0.0006  0.3408  1
  O  O58  1  0.5969  0.1082  0.8973  1
  O  O59  1  0.6263  0.5629  0.6742  1
  O  O60  1  0.6449  0.3281  0.5353  1
  O  O61  1  0.6768  0.7512  0.9442  1
  O  O62  1  0.6946  0.6754  0.4642  1
  O  O63  1  0.7041  0.4322  0.7849  1
  O  O64  1  0.7054  0.6784  0.2489  1
  O  O65  1  0.7094  0.1097  0.2257  1
  O  O66  1  0.7582  0.4847  0.2927  1
  O  O67  1  0.7710  0.1915  0.6497  1
  O  O68  1  0.7749  0.5374  0.0664  1
  O  O69  1  0.7766  0.7530  0.7659  1
  O  O70  1  0.7866  0.9097  0.0351  1
  O  O71  1  0.8581  0.0683  0.7996  1
  O  O72  1  0.8839  0.3574  0.4211  1
  O  O73  1  0.9043  0.8638  0.5648  1
  O  O74  1  0.9069  0.4908  0.5799  1
  O  O75  1  0.9531  0.6880  0.3556  1
  O  O76  1  0.9619  0.1237  0.9390  1
  O  O77  1  0.9698  0.1388  0.0978  1
  O  O78  1  0.9819  0.0785  0.3231  1
  O  O79  1  0.9974  0.3884  0.1894  1
]