# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.92795082
_cell_length_b   7.96257964
_cell_length_c   36.95968656
_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   'Al36 H108'
_cell_volume   3216.0352531
_cell_formula_units_Z   36
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  0.077651  0.516314  0.489322  1
  Al  Al2  1  0.078164  0.179905  0.489483  1
  Al  Al3  1  0.259127  1.011275  0.521485  1
  Al  Al4  1  0.260334  0.345254  0.521476  1
  Al  Al5  1  0.263744  0.676115  0.518731  1
  Al  Al6  1  0.076758  0.847729  0.490998  1
  Al  Al7  1  0.051899  0.510049  0.558910  1
  Al  Al8  1  0.054689  0.178336  0.559564  1
  Al  Al9  1  0.266603  1.010130  0.594270  1
  Al  Al10  1  0.266030  0.344433  0.594532  1
  Al  Al11  1  0.265468  0.676238  0.592183  1
  Al  Al12  1  0.054611  0.843918  0.560766  1
  Al  Al13  1  0.066760  0.510530  0.632565  1
  Al  Al14  1  0.068823  0.177545  0.633260  1
  Al  Al15  1  0.268890  1.009417  0.670039  1
  Al  Al16  1  0.270405  0.343158  0.670645  1
  Al  Al17  1  0.268420  0.675517  0.668653  1
  Al  Al18  1  0.064924  0.843201  0.633528  1
  Al  Al19  1  0.069425  0.507537  0.707592  1
  Al  Al20  1  0.069975  0.175093  0.708058  1
  Al  Al21  1  0.270517  1.006998  0.745752  1
  Al  Al22  1  0.269689  0.341191  0.746704  1
  Al  Al23  1  0.269530  0.672921  0.744712  1
  Al  Al24  1  0.068739  0.841087  0.707302  1
  Al  Al25  1  0.063415  0.505732  0.782391  1
  Al  Al26  1  0.071792  0.172886  0.782551  1
  Al  Al27  1  0.271317  1.004925  0.820525  1
  Al  Al28  1  0.268267  0.339554  0.822917  1
  Al  Al29  1  0.269254  0.671523  0.819562  1
  Al  Al30  1  0.066735  0.839090  0.781122  1
  Al  Al31  1  0.042780  0.509300  0.853715  1
  Al  Al32  1  0.042669  0.174376  0.853676  1
  Al  Al33  1  0.215311  1.008546  0.889146  1
  Al  Al34  1  0.204915  0.341894  0.891702  1
  Al  Al35  1  0.215623  0.674479  0.888858  1
  Al  Al36  1  0.046940  0.842863  0.852481  1
  H  H37  1  -0.014651  0.092111  0.438579  1
  H  H38  1  0.364907  0.245733  0.472056  1
  H  H39  1  -0.065752  0.342415  0.515048  1
  H  H40  1  -0.074124  0.512470  0.449506  1
  H  H41  1  -0.100132  1.013874  0.449173  1
  H  H42  1  -0.068528  1.011209  0.521479  1
  H  H43  1  0.206358  1.015053  0.459354  1
  H  H44  1  0.390374  0.858292  0.485451  1
  H  H45  1  -0.069782  0.682458  0.520830  1
  H  H46  1  -0.025153  0.700958  0.455229  1
  H  H47  1  -0.008039  0.423388  0.439179  1
  H  H48  1  0.205902  0.692093  0.457224  1
  H  H49  1  0.265588  0.493099  0.466934  1
  H  H50  1  0.450958  0.466955  0.522762  1
  H  H51  1  0.427513  0.726979  0.482545  1
  H  H52  1  0.454886  0.563250  0.501011  1
  H  H53  1  -0.104920  0.147276  0.459743  1
  H  H54  1  0.409769  0.171401  0.493997  1
  H  H55  1  0.720326  0.134585  0.546233  1
  H  H56  1  0.423522  0.257303  0.556582  1
  H  H57  1  -0.106152  0.138133  0.598611  1
  H  H58  1  0.782442  0.473425  0.555404  1
  H  H59  1  0.689571  1.052982  0.525120  1
  H  H60  1  -0.096902  0.949718  0.599432  1
  H  H61  1  0.427338  0.941805  0.553760  1
  H  H62  1  0.619228  0.853461  0.592599  1
  H  H63  1  -0.072314  0.672487  0.596724  1
  H  H64  1  0.793815  0.575045  0.540562  1
  H  H65  1  -0.099941  0.341681  0.581123  1
  H  H66  1  0.421620  0.766096  0.553703  1
  H  H67  1  0.449668  0.509910  0.593161  1
  H  H68  1  0.538663  0.539538  0.587859  1
  H  H69  1  0.695889  0.819578  0.576827  1
  H  H70  1  0.630178  0.724933  0.584113  1
  H  H71  1  0.642142  0.166114  0.530287  1
  H  H72  1  0.440792  0.182139  0.591626  1
  H  H73  1  0.686983  0.109877  0.632086  1
  H  H74  1  0.424089  0.251459  0.631673  1
  H  H75  1  -0.099055  0.177266  0.670834  1
  H  H76  1  -0.202559  0.477870  0.633120  1
  H  H77  1  0.664439  0.215321  0.615889  1
  H  H78  1  -0.081250  0.965223  0.671338  1
  H  H79  1  0.426260  0.929222  0.631639  1
  H  H80  1  0.618861  0.843663  0.668770  1
  H  H81  1  -0.061062  0.670386  0.671268  1
  H  H82  1  -0.195653  0.584161  0.618978  1
  H  H83  1  -0.092874  0.347006  0.652130  1
  H  H84  1  0.424406  0.754386  0.630194  1
  H  H85  1  0.450569  0.512554  0.675150  1
  H  H86  1  0.524088  0.484446  0.658876  1
  H  H87  1  0.710537  0.815458  0.660796  1
  H  H88  1  0.641093  0.722761  0.658804  1
  H  H89  1  0.660914  0.223809  0.644580  1
  H  H90  1  0.442597  0.180320  0.671530  1
  H  H91  1  0.718553  0.075588  0.706291  1
  H  H92  1  0.428579  0.249841  0.708615  1
  H  H93  1  -0.096640  0.130680  0.746460  1
  H  H94  1  -0.192313  0.457584  0.710160  1
  H  H95  1  0.633178  0.076248  0.720059  1
  H  H96  1  -0.088310  0.945226  0.743194  1
  H  H97  1  0.428454  0.926898  0.708289  1
  H  H98  1  0.650916  0.813607  0.761840  1
  H  H99  1  -0.060452  0.670892  0.744611  1
  H  H100  1  -0.195153  0.565334  0.696677  1
  H  H101  1  -0.084242  0.344125  0.731660  1
  H  H102  1  0.427442  0.755907  0.706469  1
  H  H103  1  0.451575  0.503237  0.746037  1
  H  H104  1  0.542621  0.536447  0.744816  1
  H  H105  1  0.709196  0.779650  0.740408  1
  H  H106  1  0.628863  0.703665  0.745737  1
  H  H107  1  0.680877  0.190346  0.716113  1
  H  H108  1  0.442491  0.179234  0.750403  1
  H  H109  1  0.687692  0.178497  0.814660  1
  H  H110  1  0.425055  0.253232  0.785179  1
  H  H111  1  -0.118423  0.342605  0.841760  1
  H  H112  1  0.779766  0.500098  0.779833  1
  H  H113  1  0.706852  0.098475  0.792195  1
  H  H114  1  -0.076013  1.006875  0.813257  1
  H  H115  1  0.433550  0.940302  0.783478  1
  H  H116  1  0.575113  0.888313  0.836506  1
  H  H117  1  -0.077810  0.680800  0.815762  1
  H  H118  1  0.784273  0.595567  0.796398  1
  H  H119  1  -0.095320  0.325543  0.801726  1
  H  H120  1  0.425054  0.766384  0.781846  1
  H  H121  1  0.446488  0.506082  0.816864  1
  H  H122  1  0.555332  0.455778  0.826047  1
  H  H123  1  0.589760  0.771332  0.832122  1
  H  H124  1  0.567677  0.581939  0.827127  1
  H  H125  1  0.663181  0.215826  0.788048  1
  H  H126  1  0.422623  0.165020  0.846083  1
  H  H127  1  -0.008772  0.339866  0.902632  1
  H  H128  1  0.390449  0.367482  0.873584  1
  H  H129  1  0.069021  0.158708  0.917538  1
  H  H130  1  0.767569  0.614259  0.868793  1
  H  H131  1  -0.128736  0.934239  0.879573  1
  H  H132  1  0.067244  0.840045  0.914171  1
  H  H133  1  0.404365  1.026438  0.870099  1
  H  H134  1  0.297565  0.844227  0.925467  1
  H  H135  1  0.067632  0.523109  0.917292  1
  H  H136  1  0.772451  0.634136  0.896226  1
  H  H137  1  -0.130893  0.607185  0.883747  1
  H  H138  1  0.395185  0.702756  0.868694  1
  H  H139  1  0.292718  0.512066  0.927000  1
  H  H140  1  0.521171  0.617500  0.933885  1
  H  H141  1  0.508330  0.730445  0.948908  1
  H  H142  1  0.565414  0.730035  0.925728  1
  H  H143  1  -0.127008  0.068506  0.881415  1
  H  H144  1  0.302423  0.176645  0.924909  1
