# generated using pymatgen
data_Al2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70494258
_cell_length_b   5.65584615
_cell_length_c   49.78173509
_cell_angle_alpha   89.46321228
_cell_angle_beta   91.11383672
_cell_angle_gamma   59.40045224
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2O
_chemical_formula_sum   'Al36 O18'
_cell_volume   1381.98404530
_cell_formula_units_Z   18
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  0.45635576  0.51288159  0.99982085  1.0
  Al  Al1  1  0.95668882  0.51305508  0.99972670  1.0
  Al  Al2  1  0.45769545  0.01340148  0.99906929  1.0
  Al  Al3  1  0.13905063  0.16540878  0.04672185  1.0
  Al  Al4  1  0.13380621  0.66558319  0.04718797  1.0
  Al  Al5  1  0.63522656  0.66924681  0.04662880  1.0
  Al  Al6  1  0.63571707  0.16587485  0.04687212  1.0
  Al  Al7  1  0.31457639  0.32121803  0.09309339  1.0
  Al  Al8  1  0.31468640  0.82117712  0.09298876  1.0
  Al  Al9  1  0.81244179  0.82146688  0.09342124  1.0
  Al  Al10  1  0.81455198  0.32179210  0.09219167  1.0
  Al  Al11  1  0.98938375  0.47798942  0.13974564  1.0
  Al  Al12  1  0.49366632  0.47381391  0.13961148  1.0
  Al  Al13  1  0.48868366  0.97575154  0.14014447  1.0
  Al  Al14  1  0.98945440  0.98049428  0.13967460  1.0
  Al  Al15  1  0.16927026  0.13395454  0.18674993  1.0
  Al  Al16  1  0.66588806  0.13086663  0.18643693  1.0
  Al  Al17  1  0.66867188  0.63469837  0.18673351  1.0
  Al  Al18  1  0.16903452  0.63430019  0.18449378  1.0
  Al  Al19  1  0.84677304  0.28680869  0.23170133  1.0
  Al  Al20  1  0.34058736  0.78363731  0.23155419  1.0
  Al  Al21  1  0.34993136  0.29773368  0.23268774  1.0
  Al  Al22  1  0.85287703  0.78763737  0.23184293  1.0
  Al  Al23  1  0.94600434  0.37892909  0.28007202  1.0
  Al  Al24  1  0.47430040  0.98356858  0.29235933  1.0
  Al  Al25  1  0.43911433  0.46353526  0.31043788  1.0
  Al  Al26  1  0.99196963  0.97513680  0.32846763  1.0
  Al  Al27  1  0.27928605  0.72656617  0.37408346  1.0
  Al  Al28  1  0.81073462  0.29891785  0.38683442  1.0
  Al  Al29  1  0.67584668  0.84056283  0.39274400  1.0
  Al  Al30  1  0.25015079  0.39302262  0.41966152  1.0
  Al  Al31  1  0.21883281  0.95532710  0.43781533  1.0
  Al  Al32  1  0.16394620  0.67491108  0.48039944  1.0
  Al  Al33  1  0.53808746  0.12278059  0.47904255  1.0
  Al  Al34  1  0.89635305  0.39423285  0.48598569  1.0
  Al  Al35  1  0.95700322  0.01309693  0.00013863  1.0
  O  O36  1  0.24204931  0.40631601  0.28689320  1.0
  O  O37  1  0.52821025  0.95861838  0.25617303  1.0
  O  O38  1  0.64508208  0.60298124  0.29983860  1.0
  O  O39  1  0.13731686  0.05424907  0.30178024  1.0
  O  O40  1  0.65762928  0.09084535  0.31641561  1.0
  O  O41  1  0.23653106  0.62980403  0.33843939  1.0
  O  O42  1  0.02274064  0.07424388  0.36203202  1.0
  O  O43  1  0.64235151  0.61840411  0.36770249  1.0
  O  O44  1  0.04246359  0.66587329  0.39325006  1.0
  O  O45  1  0.55152308  0.20925885  0.39432045  1.0
  O  O46  1  0.41669667  0.79605750  0.40780508  1.0
  O  O47  1  0.99199255  0.27537446  0.41737776  1.0
  O  O48  1  0.18324274  0.65294646  0.44386179  1.0
  O  O49  1  0.43542469  0.10729541  0.44521510  1.0
  O  O50  1  0.07762104  0.03245317  0.47386595  1.0
  O  O51  1  0.79671291  0.77343412  0.48696635  1.0
  O  O52  1  0.57223785  0.43037908  0.48448371  1.0
  O  O53  1  0.21997159  0.34441501  0.49606910  1.0