# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71861618
_cell_length_b   5.71858549
_cell_length_c   48.99828269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al18 H54'
_cell_volume   1387.68552314
_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  Al1  1  0.113628  0.925913  0.352176  1
  Al  Al2  1  0.697380  0.146951  0.320293  1
  Al  Al3  1  0.381782  0.334271  0.392617  1
  Al  Al4  1  0.193692  0.465326  0.320152  1
  Al  Al5  1  0.518877  0.707644  0.316952  1
  Al  Al6  1  0.666938  0.663177  0.369319  1
  Al  Al7  1  0.026577  0.995918  0.491468  1
  Al  Al8  1  0.025267  0.990703  0.420362  1
  Al  Al9  1  0.360073  0.329212  0.539760  1
  Al  Al10  1  0.361414  0.329029  0.467773  1
  Al  Al11  1  0.691140  0.663320  0.443302  1
  Al  Al12  1  0.693498  0.662691  0.515775  1
  Al  Al13  1  0.026813  0.995851  0.638758  1
  Al  Al14  1  0.026813  0.995826  0.562561  1
  Al  Al15  1  0.360131  0.329170  0.664522  1
  Al  Al16  1  0.360127  0.329189  0.610365  1
  Al  Al17  1  0.693484  0.662506  0.591023  1
  Al  Al18  1  0.693461  0.662526  0.658806  1
  H  H19  1  0.897800  0.350253  0.333637  1
  H  H20  1  0.714818  0.858256  0.286187  1
  H  H21  1  0.402081  0.063874  0.342393  1
  H  H22  1  0.259508  0.672186  0.283564  1
  H  H23  1  0.875088  0.563830  0.288327  1
  H  H24  1  0.512113  0.425013  0.284869  1
  H  H25  1  0.019607  0.728083  0.385649  1
  H  H26  1  0.087296  0.977820  0.296459  1
  H  H27  1  0.103362  0.334496  0.361567  1
  H  H28  1  0.687067  0.045058  0.365049  1
  H  H29  1  0.436173  0.489886  0.352429  1
  H  H30  1  0.848052  0.764219  0.336328  1
  H  H31  1  0.402260  0.097461  0.291680  1
  H  H32  1  0.811152  0.237586  0.383787  1
  H  H33  1  0.444803  0.660912  0.407513  1
  H  H34  1  0.947189  0.414257  0.406999  1
  H  H35  1  0.692623  0.909377  0.407233  1
  H  H36  1  0.301303  0.990366  0.389083  1
  H  H37  1  0.694580  0.413350  0.479447  1
  H  H38  1  0.115629  0.565767  0.430727  1
  H  H39  1  0.776736  0.991983  0.455803  1
  H  H40  1  0.278142  0.745498  0.455745  1
  H  H41  1  0.026841  0.246317  0.455458  1
  H  H42  1  0.609082  0.329173  0.431156  1
  H  H43  1  0.029453  0.743928  0.527257  1
  H  H44  1  0.443790  0.911839  0.479402  1
  H  H45  1  0.110195  0.328960  0.503808  1
  H  H46  1  0.610690  0.079166  0.503910  1
  H  H47  1  0.359623  0.579818  0.503897  1
  H  H48  1  0.942511  0.662075  0.479310  1
  H  H49  1  0.361143  0.087300  0.430766  1
  H  H50  1  0.774950  0.245303  0.527284  1
  H  H51  1  0.451344  0.657464  0.552764  1
  H  H52  1  0.940668  0.420370  0.552749  1
  H  H53  1  0.688345  0.909790  0.552774  1
  H  H54  1  0.275998  0.998551  0.527263  1
  H  H55  1  0.694125  0.400385  0.624710  1
  H  H56  1  0.102435  0.580392  0.575228  1
  H  H57  1  0.786870  0.997095  0.599503  1
  H  H58  1  0.265507  0.755917  0.599502  1
  H  H59  1  0.028044  0.234543  0.599498  1
  H  H60  1  0.611328  0.335678  0.575229  1
  H  H61  1  0.019085  0.741867  0.676897  1
  H  H62  1  0.431341  0.923992  0.624709  1
  H  H63  1  0.054254  0.348828  0.641102  1
  H  H64  1  0.646381  0.023317  0.641101  1
  H  H65  1  0.379768  0.615411  0.641103  1
  H  H66  1  0.954943  0.663178  0.624710  1
  H  H67  1  0.366599  0.071502  0.575229  1
  H  H68  1  0.772817  0.257550  0.676897  1
  H  H69  1  0.550008  0.491568  0.690419  1
  H  H70  1  0.007866  0.519055  0.690420  1
  H  H71  1  0.522536  0.976916  0.690420  1
  H  H72  1  0.288490  0.988130  0.676898  1
