# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69826718
_cell_length_b   15.71235279
_cell_length_c   102.58336345
_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   'Al48 H144'
_cell_volume   4349.13718597
_cell_formula_units_Z   48
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  0.926931  0.998369  0.153933  1
  Al  Al2  1  0.944136  0.586818  0.103030  1
  Al  Al3  1  0.892186  0.316284  0.072472  1
  Al  Al4  1  0.909746  0.724891  0.119254  1
  Al  Al5  1  0.414322  0.879431  0.111094  1
  Al  Al6  1  0.384895  0.450492  0.064196  1
  Al  Al7  1  0.438161  0.154355  0.147492  1
  Al  Al8  1  0.415128  0.740913  0.094044  1
  Al  Al9  1  0.419211  1.022123  0.128723  1
  Al  Al10  1  0.413912  0.593384  0.078234  1
  Al  Al11  1  0.909670  0.867906  0.135572  1
  Al  Al12  1  0.844410  0.439544  0.089476  1
  Al  Al13  1  0.941408  0.814520  0.263159  1
  Al  Al14  1  0.955006  0.399604  0.209416  1
  Al  Al15  1  0.948485  0.129177  0.172465  1
  Al  Al16  1  0.954728  0.534863  0.227946  1
  Al  Al17  1  0.453102  0.693583  0.220931  1
  Al  Al18  1  0.447614  0.286417  0.166023  1
  Al  Al19  1  0.434206  0.969971  0.257247  1
  Al  Al20  1  0.456857  0.555605  0.203341  1
  Al  Al21  1  0.440121  0.834670  0.238364  1
  Al  Al22  1  0.455075  0.423330  0.184373  1
  Al  Al23  1  0.955204  0.679032  0.245032  1
  Al  Al24  1  0.959021  0.268914  0.190332  1
  Al  Al25  1  0.927665  0.633971  0.372598  1
  Al  Al26  1  0.928875  0.227563  0.317554  1
  Al  Al27  1  0.933386  0.949698  0.281910  1
  Al  Al28  1  0.929015  0.361301  0.336184  1
  Al  Al29  1  0.421861  0.517727  0.329407  1
  Al  Al30  1  0.426887  0.107060  0.275020  1
  Al  Al31  1  0.424567  0.788873  0.366666  1
  Al  Al32  1  0.428626  0.382295  0.311388  1
  Al  Al33  1  0.431583  0.658470  0.347585  1
  Al  Al34  1  0.424577  0.248119  0.292549  1
  Al  Al35  1  0.926322  0.503313  0.353656  1
  Al  Al36  1  0.928771  1.093044  0.299175  1
  Al  Al37  1  0.961697  0.442926  0.478870  1
  Al  Al38  1  0.929722  1.036486  0.427396  1
  Al  Al39  1  0.927494  0.764526  0.391674  1
  Al  Al40  1  0.949885  0.170347  0.445746  1
  Al  Al41  1  0.450473  0.327811  0.437677  1
  Al  Al42  1  0.418837  0.921562  0.384737  1
  Al  Al43  1  0.463884  0.581886  0.472238  1
  Al  Al44  1  0.441632  0.191413  0.420731  1
  Al  Al45  1  0.454896  0.470065  0.453280  1
  Al  Al46  1  0.441677  1.060389  0.402177  1
  Al  Al47  1  0.958403  0.313810  0.462141  1
  Al  Al48  1  0.927115  0.904839  0.409024  1
  H  H49  1  0.797015  0.288367  0.093733  1
  H  H50  1  0.883934  0.730130  0.159320  1
  H  H51  1  0.937894  0.207289  0.130364  1
  H  H52  1  0.913478  0.760854  0.075540  1
  H  H53  1  0.391622  0.228846  0.061445  1
  H  H54  1  0.400867  0.745549  0.138134  1
  H  H55  1  0.899748  1.053222  0.059306  1
  H  H56  1  0.914054  0.597106  0.131569  1
  H  H57  1  0.984440  0.830327  0.044807  1
  H  H58  1  0.952611  0.240224  0.104300  1
  H  H59  1  0.407259  0.868089  0.154307  1
  H  H60  1  0.323377  0.398071  0.105972  1
  H  H61  1  0.913079  0.867525  0.092701  1
  H  H62  1  0.943450  0.280809  0.147750  1
  H  H63  1  0.411012  0.896859  0.071089  1
  H  H64  1  0.446439  0.351914  0.129725  1
  H  H65  1  0.822805  1.059170  0.049250  1
  H  H66  1  0.472031  0.480509  0.113196  1
  H  H67  1  0.860589  0.998390  0.053453  1
  H  H68  1  0.687133  0.538400  0.122524  1
  H  H69  1  0.393809  0.204378  0.073026  1
  H  H70  1  1.092367  0.648114  0.137867  1
  H  H71  1  0.916897  0.999267  0.108929  1
  H  H72  1  0.884560  0.364326  0.051630  1
  H  H73  1  0.920306  1.084525  0.113731  1
  H  H74  1  0.913292  0.617798  0.059977  1
  H  H75  1  0.436409  1.064930  0.091053  1
  H  H76  1  0.428558  0.578142  0.054920  1
  H  H77  1  0.405885  0.950828  0.075485  1
  H  H78  1  0.439023  0.399296  0.135746  1
  H  H79  1  0.414923  1.010531  0.086703  1
  H  H80  1  0.440224  0.467825  0.144774  1
  H  H81  1  0.953891  0.204330  0.096114  1
  H  H82  1  0.959096  0.789835  0.041207  1
  H  H83  1  0.428467  0.189936  0.126146  1
  H  H84  1  0.412167  0.732201  0.071072  1
  H  H85  1  0.987891  0.135817  0.212410  1
  H  H86  1  0.981357  0.547651  0.268212  1
  H  H87  1  0.933890  1.039568  0.241898  1
  H  H88  1  0.959228  0.585975  0.184751  1
  H  H89  1  0.463395  0.147208  0.191446  1
  H  H90  1  0.463669  0.557631  0.246913  1
  H  H91  1  0.935815  1.002888  0.184775  1
  H  H92  1  0.933021  0.410165  0.240313  1
  H  H93  1  0.984381  0.720092  0.169359  1
  H  H94  1  0.878140  0.137858  0.222615  1
  H  H95  1  0.456887  0.685110  0.263733  1
  H  H96  1  0.464096  0.271511  0.209116  1
  H  H97  1  0.958035  0.682647  0.202812  1
  H  H98  1  0.925116  1.099044  0.256857  1
  H  H99  1  0.481626  0.779112  0.189225  1
  H  H100  1  0.420658  0.201670  0.243358  1
  H  H101  1  0.432425  0.917004  0.168357  1
  H  H102  1  0.446332  0.321385  0.224037  1
  H  H103  1  0.905928  0.935264  0.173791  1
  H  H104  1  0.989595  0.338796  0.229263  1
  H  H105  1  0.798896  1.051821  0.191556  1
  H  H106  1  0.801321  0.458559  0.247123  1
  H  H107  1  0.947617  0.815419  0.218687  1
  H  H108  1  0.948139  0.407930  0.164590  1
  H  H109  1  0.930630  0.914620  0.226636  1
  H  H110  1  0.957077  0.501202  0.171578  1
  H  H111  1  0.363236  0.949693  0.207497  1
  H  H112  1  0.452157  0.516230  0.150502  1
  H  H113  1  0.466337  0.822015  0.196011  1
  H  H114  1  0.423644  0.238306  0.250885  1
  H  H115  1  0.437739  0.904061  0.201588  1
  H  H116  1  0.416729  0.326185  0.258789  1
  H  H117  1  0.878179  1.078807  0.217602  1
  H  H118  1  0.976022  0.667338  0.163010  1
  H  H119  1  0.410098  1.030233  0.237834  1
  H  H120  1  0.466175  0.616534  0.183956  1
  H  H121  1  0.944237  0.969636  0.322575  1
  H  H122  1  0.933842  0.378309  0.377086  1
  H  H123  1  0.925005  0.859541  0.351242  1
  H  H124  1  0.928301  0.487085  0.301103  1
  H  H125  1  0.428793  0.971885  0.301033  1
  H  H126  1  0.424821  0.382324  0.355417  1
  H  H127  1  0.933447  0.828877  0.294945  1
  H  H128  1  0.932183  0.241014  0.349186  1
  H  H129  1  0.892957  0.564351  0.278298  1
  H  H130  1  0.837212  0.969866  0.332853  1
  H  H131  1  0.427641  0.508502  0.372422  1
  H  H132  1  0.431058  0.100952  0.317863  1
  H  H133  1  0.920903  0.568722  0.314007  1
  H  H134  1  0.917686  0.917001  0.366231  1
  H  H135  1  0.423333  0.647701  0.297287  1
  H  H136  1  0.413567  1.048790  0.360835  1
  H  H137  1  0.437478  0.742627  0.278007  1
  H  H138  1  0.429793  0.153763  0.332662  1
  H  H139  1  0.926253  0.762941  0.283636  1
  H  H140  1  0.939219  0.171655  0.337822  1
  H  H141  1  1.063749  0.878525  0.301670  1
  H  H142  1  1.065337  0.289682  0.355984  1
  H  H143  1  0.913541  0.641564  0.328344  1
  H  H144  1  0.923960  0.227625  0.273428  1
  H  H145  1  0.947918  0.738798  0.335202  1
  H  H146  1  0.920778  0.357469  0.287610  1
  H  H147  1  0.333752  0.774105  0.321451  1
  H  H148  1  0.418566  0.362443  0.266365  1
  H  H149  1  0.431277  0.694293  0.303380  1
  H  H150  1  0.445632  0.109179  0.358278  1
  H  H151  1  0.420251  0.745004  0.313267  1
  H  H152  1  0.398530  0.154017  0.367823  1
  H  H153  1  0.842944  0.911897  0.327641  1
  H  H154  1  0.882411  0.499853  0.275322  1
  H  H155  1  0.406226  0.849530  0.347156  1
  H  H156  1  0.405860  0.482832  0.296834  1
  H  H157  1  0.918151  0.771292  0.434402  1
  H  H158  1  0.459857  0.318196  0.481223  1
  H  H159  1  0.991932  0.697870  0.477512  1
  H  H160  1  0.941740  0.258189  0.404799  1
  H  H161  1  0.423877  0.783565  0.411187  1
  H  H162  1  0.463344  0.195433  0.464878  1
  H  H163  1  0.931664  0.644416  0.404732  1
  H  H164  1  0.882365  1.075358  0.464186  1
  H  H165  1  0.825543  0.374335  0.387329  1
  H  H166  1  0.918497  0.807240  0.443490  1
  H  H167  1  0.461825  0.441197  0.495373  1
  H  H168  1  0.427883  0.908201  0.427526  1
  H  H169  1  0.944999  0.320285  0.419208  1
  H  H170  1  0.962018  0.572320  0.489937  1
  H  H171  1  0.448525  0.452360  0.413073  1
  H  H172  1  0.386026  0.917454  0.485096  1
  H  H173  1  0.428856  0.560609  0.387625  1
  H  H174  1  0.416409  1.005656  0.445980  1
  H  H175  1  0.911152  0.580206  0.393138  1
  H  H176  1  0.937563  0.972059  0.446394  1
  H  H177  1  1.046941  0.694684  0.411608  1
  H  H178  1  0.773600  0.105354  0.472432  1
  H  H179  1  0.953214  0.449861  0.434765  1
  H  H180  1  0.909034  1.042299  0.382496  1
  H  H181  1  0.955454  0.593510  0.453807  1
  H  H182  1  0.966742  0.136870  0.388886  1
  H  H183  1  0.455371  0.591598  0.433245  1
  H  H184  1  0.299786  0.177767  0.376496  1
  H  H185  1  0.449083  0.513538  0.414927  1
  H  H186  1  0.374639  0.951484  0.476242  1
  H  H187  1  0.460998  0.571070  0.424054  1
  H  H188  1  0.303148  0.982831  0.485142  1
  H  H189  1  0.822448  0.741838  0.443580  1
  H  H190  1  0.825608  0.318789  0.381559  1
  H  H191  1  1.138798  0.711492  0.467873  1
  H  H192  1  0.428215  0.246505  0.400719  1
