# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73499208
_cell_length_b   8.94866439
_cell_length_c   48.64206170
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.90713816
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al30 H90'
_cell_volume   2361.6460602
_cell_formula_units_Z   30
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  0.767713  0.032632  0.335083  1
  Al  Al2  1  0.589354  0.698968  0.325024  1
  Al  Al3  1  0.434380  0.365965  0.335083  1
  Al  Al4  1  0.256021  0.032301  0.325024  1
  Al  Al5  1  0.101046  0.699299  0.335083  1
  Al  Al6  1  0.922688  0.365634  0.325024  1
  Al  Al7  1  0.096464  0.700267  0.423103  1
  Al  Al8  1  0.928356  0.366881  0.376655  1
  Al  Al9  1  0.763131  0.033600  0.423103  1
  Al  Al10  1  0.595022  0.700215  0.376655  1
  Al  Al11  1  0.429798  0.366934  0.423103  1
  Al  Al12  1  0.261689  0.033548  0.376655  1
  Al  Al13  1  0.429635  0.366927  0.506189  1
  Al  Al14  1  0.262967  0.033594  0.463302  1
  Al  Al15  1  0.096302  0.700260  0.506189  1
  Al  Al16  1  0.929634  0.366927  0.463302  1
  Al  Al17  1  0.762968  0.033594  0.506189  1
  Al  Al18  1  0.596301  0.700261  0.463302  1
  Al  Al19  1  0.764535  0.033532  0.592541  1
  Al  Al20  1  0.596270  0.700333  0.547095  1
  Al  Al21  1  0.431202  0.366865  0.592541  1
  Al  Al22  1  0.262937  0.033666  0.547095  1
  Al  Al23  1  0.097869  0.700199  0.592541  1
  Al  Al24  1  0.929604  0.367000  0.547095  1
  Al  Al25  1  0.939464  0.628546  0.658891  1
  Al  Al26  1  0.918252  0.364720  0.632454  1
  Al  Al27  1  0.606130  0.961879  0.658891  1
  Al  Al28  1  0.584919  0.698053  0.632454  1
  Al  Al29  1  0.272797  0.295212  0.658891  1
  Al  Al30  1  0.251586  0.031386  0.632454  1
  H  H31  1  0.884053  0.896044  0.300302  1
  H  H32  1  0.764273  0.535854  0.352488  1
  H  H33  1  0.170631  0.628220  0.380144  1
  H  H34  1  0.370144  0.840398  0.301409  1
  H  H35  1  0.927588  0.861832  0.350260  1
  H  H36  1  0.898963  0.714543  0.296244  1
  H  H37  1  0.550720  0.229378  0.300302  1
  H  H38  1  0.430939  0.869188  0.352488  1
  H  H39  1  0.837297  0.961554  0.380144  1
  H  H40  1  0.036810  0.173731  0.301409  1
  H  H41  1  0.594255  0.195166  0.350260  1
  H  H42  1  0.565629  0.047876  0.296244  1
  H  H43  1  0.217387  0.562711  0.300302  1
  H  H44  1  0.097606  0.202521  0.352488  1
  H  H45  1  0.503964  0.294887  0.380144  1
  H  H46  1  0.703477  0.507065  0.301409  1
  H  H47  1  0.260921  0.528499  0.350260  1
  H  H48  1  0.232296  0.381210  0.296244  1
  H  H49  1  0.433309  0.619660  0.420493  1
  H  H50  1  0.096402  0.200303  0.442834  1
  H  H51  1  0.515269  0.283164  0.464035  1
  H  H52  1  0.762797  0.533956  0.400193  1
  H  H53  1  0.092480  0.447433  0.420455  1
  H  H54  1  0.355871  0.438836  0.380135  1
  H  H55  1  0.099975  0.952993  0.420493  1
  H  H56  1  0.763069  0.533636  0.442834  1
  H  H57  1  0.181936  0.616498  0.464035  1
  H  H58  1  0.429464  0.867289  0.400193  1
  H  H59  1  0.759146  0.780766  0.420455  1
  H  H60  1  0.022537  0.772170  0.380135  1
  H  H61  1  0.766642  0.286326  0.420493  1
  H  H62  1  0.429735  0.866969  0.442834  1
  H  H63  1  0.848602  0.949831  0.464035  1
  H  H64  1  0.096131  0.200623  0.400193  1
  H  H65  1  0.425813  0.114100  0.420455  1
  H  H66  1  0.689204  0.105503  0.380135  1
  H  H67  1  0.762085  0.284039  0.505766  1
  H  H68  1  0.429557  0.866962  0.526974  1
  H  H69  1  0.844567  0.953934  0.548826  1
  H  H70  1  0.096299  0.200255  0.484741  1
  H  H71  1  0.430526  0.116457  0.505765  1
  H  H72  1  0.677339  0.117319  0.464029  1
  H  H73  1  0.428752  0.617372  0.505766  1
  H  H74  1  0.096223  0.200295  0.526974  1
  H  H75  1  0.511234  0.287267  0.548826  1
  H  H76  1  0.762966  0.533588  0.484741  1
  H  H77  1  0.097193  0.449790  0.505765  1
  H  H78  1  0.344006  0.450652  0.464029  1
  H  H79  1  0.095418  0.950705  0.505766  1
  H  H80  1  0.762890  0.533628  0.526974  1
  H  H81  1  0.177900  0.620600  0.548826  1
  H  H82  1  0.429632  0.866921  0.484741  1
  H  H83  1  0.763860  0.783123  0.505765  1
  H  H84  1  0.010672  0.783986  0.464029  1
  H  H85  1  0.105017  0.955671  0.588975  1
  H  H86  1  0.763019  0.536188  0.615213  1
  H  H87  1  0.194514  0.606574  0.630784  1
  H  H88  1  0.430326  0.867373  0.569596  1
  H  H89  1  0.751860  0.777375  0.589311  1
  H  H90  1  0.014712  0.779760  0.548877  1
  H  H91  1  0.771683  0.289004  0.588975  1
  H  H92  1  0.429686  0.869521  0.615213  1
  H  H93  1  0.861181  0.939908  0.630784  1
  H  H94  1  0.096993  0.200706  0.569596  1
  H  H95  1  0.418526  0.110709  0.589311  1
  H  H96  1  0.681378  0.113093  0.548877  1
  H  H97  1  0.438350  0.622338  0.588975  1
  H  H98  1  0.096353  0.202854  0.615213  1
  H  H99  1  0.527847  0.273241  0.630784  1
  H  H100  1  0.763659  0.534040  0.569596  1
  H  H101  1  0.085193  0.444042  0.589311  1
  H  H102  1  0.348045  0.446427  0.548877  1
  H  H103  1  0.351038  0.721994  0.670564  1
  H  H104  1  0.196354  0.254124  0.706150  1
  H  H105  1  0.360360  0.339303  0.705158  1
  H  H106  1  0.538472  0.539163  0.671134  1
  H  H107  1  0.075393  0.445013  0.675935  1
  H  H108  1  0.325222  0.468116  0.629261  1
  H  H109  1  0.017705  0.055327  0.670564  1
  H  H110  1  0.863021  0.587458  0.706150  1
  H  H111  1  0.027027  0.672636  0.705158  1
  H  H112  1  0.205139  0.872496  0.671134  1
  H  H113  1  0.742059  0.778347  0.675935  1
  H  H114  1  0.991889  0.801449  0.629261  1
  H  H115  1  0.684372  0.388661  0.670564  1
  H  H116  1  0.529688  0.920791  0.706150  1
  H  H117  1  0.693694  0.005970  0.705158  1
  H  H118  1  0.871806  0.205829  0.671134  1
  H  H119  1  0.408726  0.111680  0.675935  1
  H  H120  1  0.658556  0.134782  0.629261  1
