# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64277582
_cell_length_b   11.61184311
_cell_length_c   66.80787569
_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   2050.16656697
_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  0.949106  0.871020  0.168013  1
  Al  Al2  1  0.994819  -0.020600  0.203676  1
  Al  Al3  1  0.474853  0.202073  0.199956  1
  Al  Al4  1  0.458756  0.070451  0.167064  1
  Al  Al5  1  0.466194  0.367002  0.230782  1
  Al  Al6  1  0.978527  0.149116  0.237379  1
  Al  Al7  1  0.966666  0.304495  0.269438  1
  Al  Al8  1  0.962205  0.480452  0.300190  1
  Al  Al9  1  0.460639  0.695420  0.307342  1
  Al  Al10  1  0.462115  0.517985  0.263565  1
  Al  Al11  1  0.450115  0.873956  0.339904  1
  Al  Al12  1  0.957058  0.656113  0.343506  1
  Al  Al13  1  0.941601  0.807759  0.376762  1
  Al  Al14  1  0.946024  0.933980  0.413381  1
  Al  Al15  1  0.443793  0.144755  0.414586  1
  Al  Al16  1  0.437543  0.022883  0.375921  1
  Al  Al17  1  0.446021  0.305984  0.446325  1
  Al  Al18  1  0.946713  0.092312  0.452820  1
  Al  Al19  1  0.950313  0.261264  0.484071  1
  Al  Al20  1  0.959615  0.432893  0.514221  1
  Al  Al21  1  0.470543  0.649602  0.504205  1
  Al  Al22  1  0.449199  0.479349  0.475515  1
  Al  Al23  1  0.466893  0.794708  0.534234  1
  Al  Al24  1  0.966823  0.600918  0.542916  1
  H  H25  1  0.492981  -0.012880  0.232954  1
  H  H26  1  0.957313  0.004193  0.140410  1
  H  H27  1  0.525777  0.814332  0.208581  1
  H  H28  1  0.900010  0.673128  0.180210  1
  H  H29  1  0.458546  0.314905  0.137757  1
  H  H30  1  0.454480  0.825733  0.140300  1
  H  H31  1  0.965760  0.239149  0.170838  1
  H  H32  1  0.399615  0.399723  0.132234  1
  H  H33  1  0.434434  0.746470  0.150273  1
  H  H34  1  0.937412  0.603747  0.171894  1
  H  H35  1  1.121265  0.775945  0.196268  1
  H  H36  1  0.976460  0.369049  0.200625  1
  H  H37  1  0.954650  0.528964  0.233472  1
  H  H38  1  0.496621  0.550485  0.212060  1
  H  H39  1  0.458223  0.388686  0.147689  1
  H  H40  1  0.434550  0.489999  0.200596  1
  H  H41  1  0.813883  0.843972  0.230720  1
  H  H42  1  0.958223  0.118344  0.140773  1
  H  H43  1  0.459811  0.519169  0.327824  1
  H  H44  1  0.968109  0.653955  0.245578  1
  H  H45  1  0.465833  0.342465  0.316880  1
  H  H46  1  0.963709  0.187876  0.296082  1
  H  H47  1  0.878230  0.874668  0.244994  1
  H  H48  1  0.466807  0.050439  0.261844  1
  H  H49  1  0.957549  0.651884  0.280207  1
  H  H50  1  0.352222  0.821680  0.278746  1
  H  H51  1  0.468391  0.186998  0.289716  1
  H  H52  1  0.974043  0.048331  0.266610  1
  H  H53  1  0.966171  0.307332  0.315460  1
  H  H54  1  0.959021  0.861151  0.311062  1
  H  H55  1  0.947830  0.033054  0.346516  1
  H  H56  1  0.482406  0.050109  0.321466  1
  H  H57  1  0.695834  0.853716  0.284552  1
  H  H58  1  0.350847  -0.005666  0.310365  1
  H  H59  1  0.979806  0.385378  0.349911  1
  H  H60  1  0.408391  0.686593  0.248631  1
  H  H61  1  0.448402  0.939878  0.443037  1
  H  H62  1  1.206605  0.170318  0.350744  1
  H  H63  1  0.448822  0.810627  0.434147  1
  H  H64  1  0.943527  0.728419  0.409350  1
  H  H65  1  0.945214  0.456745  0.358009  1
  H  H66  1  0.457954  0.565180  0.366382  1
  H  H67  1  0.934700  0.178928  0.386760  1
  H  H68  1  0.443074  0.355254  0.386180  1
  H  H69  1  0.437878  0.702637  0.398392  1
  H  H70  1  0.956550  0.609220  0.377206  1
  H  H71  1  0.939136  0.764788  0.430342  1
  H  H72  1  0.952760  0.312165  0.417792  1
  H  H73  1  0.934665  0.473904  0.445114  1
  H  H74  1  0.614424  0.526403  0.422156  1
  H  H75  1  0.447952  0.431417  0.392854  1
  H  H76  1  0.525447  0.496180  0.408468  1
  H  H77  1  0.980955  0.806030  0.468913  1
  H  H78  1  0.512718  0.201247  0.359353  1
  H  H79  1  0.466924  0.655318  0.570340  1
  H  H80  1  0.966955  0.597417  0.456135  1
  H  H81  1  0.459464  0.364308  0.540670  1
  H  H82  1  0.954070  0.232864  0.518780  1
  H  H83  1  0.896124  0.891447  0.466426  1
  H  H84  1  0.449272  0.034690  0.480044  1
  H  H85  1  0.968426  0.820901  0.505731  1
  H  H86  1  0.469514  -0.019686  0.523885  1
  H  H87  1  0.451171  0.195662  0.510896  1
  H  H88  1  0.951490  0.066011  0.488857  1
  H  H89  1  0.967575  0.406519  0.549164  1
  H  H90  1  0.966964  0.832251  0.558989  1
  H  H91  1  0.538046  0.223487  0.587513  1
  H  H92  1  0.519308  0.303353  0.579925  1
  H  H93  1  0.466874  -0.014357  0.539451  1
  H  H94  1  0.584154  0.225937  0.571844  1
  H  H95  1  0.467063  0.551944  0.569700  1
  H  H96  1  1.181018  0.677763  0.472483  1
