# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67503852
_cell_length_b   6.94281032
_cell_length_c   45.10772489
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al24 H72'
_cell_volume   1777.276657
_cell_formula_units_Z   24
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  Al1  1  0.729401  0.186075  0.325990  1
  Al  Al2  1  0.649807  0.748653  0.323483  1
  Al  Al3  1  0.681740  0.708430  0.377980  1
  Al  Al4  1  0.734649  0.262352  0.379837  1
  Al  Al5  1  0.251022  -0.002946  0.324959  1
  Al  Al6  1  0.213852  0.474057  0.326649  1
  Al  Al7  1  0.279768  0.460484  0.382596  1
  Al  Al8  1  0.191552  0.976493  0.380898  1
  Al  Al9  1  0.233887  0.882492  0.475957  1
  Al  Al10  1  0.233902  0.380235  0.476052  1
  Al  Al11  1  0.741163  0.218896  0.437568  1
  Al  Al12  1  0.723679  0.723159  0.436135  1
  Al  Al13  1  0.734837  0.549117  0.513378  1
  Al  Al14  1  0.730880  0.051051  0.511184  1
  Al  Al15  1  0.735380  0.875977  0.588432  1
  Al  Al16  1  0.728044  0.391073  0.592239  1
  Al  Al17  1  0.224948  0.206764  0.549701  1
  Al  Al18  1  0.232575  0.723447  0.547975  1
  Al  Al19  1  0.218712  0.579649  0.610313  1
  Al  Al20  1  0.256065  0.073335  0.626314  1
  Al  Al21  1  0.233487  0.752840  0.660779  1
  Al  Al22  1  0.219386  0.380375  0.661618  1
  Al  Al23  1  0.777433  0.273774  0.652017  1
  Al  Al24  1  0.760984  0.646280  0.657116  1
  H  H25  1  0.060689  0.240694  0.295780  1
  H  H26  1  0.905207  0.926329  0.347562  1
  H  H27  1  0.392364  0.221236  0.354267  1
  H  H28  1  0.558757  0.987355  0.292666  1
  H  H29  1  0.976141  0.061130  0.291087  1
  H  H30  1  0.454531  0.112986  0.408364  1
  H  H31  1  0.055431  0.689575  0.362720  1
  H  H32  1  0.412195  0.249034  0.298124  1
  H  H33  1  0.850352  0.491734  0.344177  1
  H  H34  1  0.564808  0.462454  0.345368  1
  H  H35  1  0.942192  0.536052  0.403438  1
  H  H36  1  0.066443  0.232334  0.353086  1
  H  H37  1  0.557312  0.986808  0.358883  1
  H  H38  1  0.852408  0.464492  0.302101  1
  H  H39  1  0.307530  0.731729  0.293786  1
  H  H40  1  0.026202  0.732547  0.304750  1
  H  H41  1  0.330869  0.732042  0.352018  1
  H  H42  1  0.452202  0.579585  0.290129  1
  H  H43  1  0.595948  0.470003  0.411728  1
  H  H44  1  0.484175  0.132904  0.473645  1
  H  H45  1  0.854471  0.302255  0.484665  1
  H  H46  1  0.064109  0.227143  0.407268  1
  H  H47  1  0.361811  0.336815  0.429278  1
  H  H48  1  0.105508  0.133098  0.503419  1
  H  H49  1  0.612078  0.795965  0.484000  1
  H  H50  1  0.986705  0.481564  0.440763  1
  H  H51  1  0.351637  0.634956  0.448789  1
  H  H52  1  0.978958  0.634438  0.473812  1
  H  H53  1  0.360649  0.631844  0.503168  1
  H  H54  1  0.611326  0.469781  0.466579  1
  H  H55  1  0.110733  0.131533  0.447860  1
  H  H56  1  0.364900  0.740106  0.407574  1
  H  H57  1  0.828951  0.967539  0.404292  1
  H  H58  1  0.479761  0.973328  0.439636  1
  H  H59  1  0.862203  0.967082  0.464547  1
  H  H60  1  0.090083  0.839669  0.426850  1
  H  H61  1  0.109990  0.464208  0.521245  1
  H  H62  1  0.980563  0.132752  0.588836  1
  H  H63  1  0.358522  0.296609  0.593042  1
  H  H64  1  0.479686  0.300511  0.513373  1
  H  H65  1  0.840283  0.293527  0.542493  1
  H  H66  1  0.629036  0.121624  0.614973  1
  H  H67  1  0.132950  0.861266  0.590244  1
  H  H68  1  0.483508  0.460383  0.550240  1
  H  H69  1  0.857999  0.634682  0.559204  1
  H  H70  1  0.499289  0.632912  0.579640  1
  H  H71  1  0.850675  0.637163  0.612514  1
  H  H72  1  0.066857  0.467712  0.568898  1
  H  H73  1  0.616141  0.135676  0.559540  1
  H  H74  1  0.980102  0.799288  0.511533  1
  H  H75  1  0.360196  0.970268  0.521229  1
  H  H76  1  0.968699  0.964856  0.549238  1
  H  H77  1  0.369456  0.971499  0.577888  1
  H  H78  1  0.613825  0.805419  0.540410  1
  H  H79  1  0.516238  0.456208  0.633451  1
  H  H80  1  0.322135  0.248346  0.708126  1
  H  H81  1  0.874114  0.274447  0.717626  1
  H  H82  1  0.031226  0.310536  0.618749  1
  H  H83  1  0.457041  0.128118  0.670400  1
  H  H84  1  0.166287  0.324263  0.712971  1
  H  H85  1  0.527191  0.767418  0.697455  1
  H  H86  1  0.729585  0.423005  0.695294  1
  H  H87  1  0.476221  0.553952  0.690530  1
  H  H88  1  0.977417  0.716958  0.701232  1
  H  H89  1  0.140622  0.571125  0.701715  1
  H  H90  1  0.756896  0.199910  0.704331  1
  H  H91  1  0.073327  0.074451  0.671735  1
  H  H92  1  0.490133  0.807656  0.626381  1
  H  H93  1  0.715562  0.959964  0.648555  1
  H  H94  1  0.450430  0.920639  0.693327  1
  H  H95  1  0.933213  0.878030  0.688596  1
  H  H96  1  0.971246  0.857942  0.628643  1
