# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74343184
_cell_length_b   8.26703776
_cell_length_c   86.03099692
_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   1951.18770761
_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  0.985717  0.507343  0.125341  1
  Al  Al2  1  0.989544  0.846004  0.125550  1
  Al  Al3  1  0.486865  1.008839  0.099819  1
  Al  Al4  1  0.486806  0.676763  0.101483  1
  Al  Al5  1  0.485675  0.344300  0.099179  1
  Al  Al6  1  0.987080  0.177683  0.124393  1
  Al  Al7  1  0.885445  0.622525  0.255364  1
  Al  Al8  1  0.883370  0.956423  0.255566  1
  Al  Al9  1  0.388111  0.121871  0.230621  1
  Al  Al10  1  0.386912  0.789326  0.230631  1
  Al  Al11  1  0.389331  0.455843  0.230340  1
  Al  Al12  1  0.886830  0.290052  0.255300  1
  Al  Al13  1  0.961523  0.593837  0.390325  1
  Al  Al14  1  0.962655  0.927008  0.390253  1
  Al  Al15  1  0.462934  0.091372  0.365409  1
  Al  Al16  1  0.461341  0.758809  0.365286  1
  Al  Al17  1  0.462814  0.426487  0.365475  1
  Al  Al18  1  0.961200  0.260289  0.390240  1
  Al  Al19  1  0.916616  0.550892  0.526208  1
  Al  Al20  1  0.934838  0.884159  0.525844  1
  Al  Al21  1  0.420543  0.050056  0.501111  1
  Al  Al22  1  0.421608  0.716390  0.501057  1
  Al  Al23  1  0.414072  0.384659  0.501282  1
  Al  Al24  1  0.903183  0.216894  0.526029  1
  H  H25  1  0.989772  1.013433  0.169905  1
  H  H26  1  0.985896  0.827129  0.084943  1
  H  H27  1  0.496322  0.886955  0.146334  1
  H  H28  1  0.576935  0.656489  0.039304  1
  H  H29  1  0.891528  0.978845  0.181368  1
  H  H30  1  0.486763  0.070678  0.143976  1
  H  H31  1  0.986719  0.167083  0.083974  1
  H  H32  1  0.483239  0.285709  0.061063  1
  H  H33  1  0.488242  0.341007  0.140757  1
  H  H34  1  0.827006  0.434417  0.158179  1
  H  H35  1  1.210765  0.675581  0.144997  1
  H  H36  1  0.984418  0.460853  0.080116  1
  H  H37  1  0.479373  0.549246  0.078844  1
  H  H38  1  0.491435  0.690147  0.050672  1
  H  H39  1  0.500195  0.374701  0.054052  1
  H  H40  1  0.511474  0.563816  0.047718  1
  H  H41  1  0.792759  0.982218  0.061154  1
  H  H42  1  0.454206  0.978253  0.064321  1
  H  H43  1  0.875034  0.963190  0.292224  1
  H  H44  1  0.888622  0.876277  0.210089  1
  H  H45  1  0.379482  0.788921  0.271512  1
  H  H46  1  0.954914  0.547139  0.158146  1
  H  H47  1  0.985412  0.065806  0.299413  1
  H  H48  1  0.382923  0.126435  0.271491  1
  H  H49  1  0.890231  0.200364  0.210660  1
  H  H50  1  0.397948  0.251947  0.186264  1
  H  H51  1  0.389517  0.455319  0.271467  1
  H  H52  1  0.977359  0.536957  0.297667  1
  H  H53  1  0.854808  0.657189  0.294531  1
  H  H54  1  0.892720  0.372217  0.210321  1
  H  H55  1  0.390446  0.626712  0.209166  1
  H  H56  1  0.414940  0.589377  0.194235  1
  H  H57  1  0.336340  0.362004  0.183036  1
  H  H58  1  0.407098  0.498575  0.186133  1
  H  H59  1  0.986417  0.889080  0.173163  1
  H  H60  1  0.390759  0.950565  0.208719  1
  H  H61  1  0.965419  0.928355  0.427221  1
  H  H62  1  0.960742  0.842106  0.344558  1
  H  H63  1  0.464306  0.761395  0.406352  1
  H  H64  1  0.958867  0.628526  0.306193  1
  H  H65  1  0.850404  1.032327  0.434127  1
  H  H66  1  0.461661  0.095091  0.406373  1
  H  H67  1  0.963407  0.161464  0.344988  1
  H  H68  1  0.463410  0.248873  0.320520  1
  H  H69  1  0.457965  0.426180  0.406371  1
  H  H70  1  0.864122  0.500238  0.432856  1
  H  H71  1  0.980832  0.619197  0.428970  1
  H  H72  1  0.963178  0.330260  0.345938  1
  H  H73  1  0.459986  0.590789  0.342610  1
  H  H74  1  0.466275  0.545077  0.331410  1
  H  H75  1  0.485258  0.309072  0.309901  1
  H  H76  1  0.463742  0.381331  0.320222  1
  H  H77  1  0.925299  0.953716  0.304698  1
  H  H78  1  0.460577  0.916865  0.343395  1
  H  H79  1  0.736143  0.978826  0.563749  1
  H  H80  1  0.920980  0.801719  0.480387  1
  H  H81  1  0.447062  0.917687  0.546278  1
  H  H82  1  0.901398  0.594949  0.440947  1
  H  H83  1  0.855118  0.076026  0.568326  1
  H  H84  1  0.384145  0.218216  0.546858  1
  H  H85  1  0.922000  0.122735  0.480717  1
  H  H86  1  0.424912  0.211624  0.456065  1
  H  H87  1  0.402933  0.558216  0.547854  1
  H  H88  1  1.160283  0.381678  0.546690  1
  H  H89  1  1.175196  0.720966  0.546349  1
  H  H90  1  0.914088  0.291295  0.481575  1
  H  H91  1  0.418629  0.550606  0.478268  1
  H  H92  1  0.409738  0.507701  0.466994  1
  H  H93  1  0.349533  0.271239  0.445656  1
  H  H94  1  0.412092  0.343875  0.455764  1
  H  H95  1  0.905359  0.920963  0.439634  1
  H  H96  1  0.421073  0.876151  0.479208  1
