# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67393005
_cell_length_b   11.02184455
_cell_length_c   50.57345737
_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   'Al18 H54'
_cell_volume   1490.4827996
_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  0.507185  0.015448  0.350606  1
  Al  Al2  1  0.557923  0.062794  0.299554  1
  Al  Al3  1  1.013267  0.229723  0.431958  1
  Al  Al4  1  1.056937  0.233737  0.325071  1
  Al  Al5  1  1.017851  0.219027  0.377275  1
  Al  Al6  1  0.514010  0.028814  0.406208  1
  Al  Al7  1  0.530727  0.056125  0.516600  1
  Al  Al8  1  0.503000  0.040743  0.461833  1
  Al  Al9  1  1.028647  0.272456  0.596610  1
  Al  Al10  1  1.019168  0.246497  0.486945  1
  Al  Al11  1  1.030159  0.262202  0.541502  1
  Al  Al12  1  0.532069  0.070281  0.570984  1
  Al  Al13  1  0.537942  0.077312  0.679227  1
  Al  Al14  1  0.529174  0.073579  0.624990  1
  Al  Al15  1  1.040042  0.261024  0.756226  1
  Al  Al16  1  1.020771  0.276035  0.650972  1
  Al  Al17  1  1.047432  0.285442  0.704697  1
  Al  Al18  1  0.540639  0.081230  0.732447  1
  H  H19  1  0.441381  0.109924  0.256087  1
  H  H20  1  0.552345  0.361006  0.301349  1
  H  H21  1  1.066248  -0.091027  0.289598  1
  H  H22  1  0.499902  -0.193518  0.338593  1
  H  H23  1  0.519216  0.588955  0.440299  1
  H  H24  1  1.017921  -0.124711  0.422682  1
  H  H25  1  0.514861  0.379274  0.413897  1
  H  H26  1  1.020070  0.576276  0.396865  1
  H  H27  1  1.005182  -0.101698  0.379994  1
  H  H28  1  0.625283  -0.194502  0.358719  1
  H  H29  1  0.262921  -0.117462  0.314924  1
  H  H30  1  0.521809  0.382901  0.382233  1
  H  H31  1  1.041124  0.435784  0.339123  1
  H  H32  1  1.016366  0.515783  0.348749  1
  H  H33  1  1.105176  0.663907  0.390229  1
  H  H34  1  1.028528  0.594084  0.375745  1
  H  H35  1  0.545569  0.019475  0.255664  1
  H  H36  1  0.571680  0.264664  0.286460  1
  H  H37  1  0.517509  0.684148  0.436767  1
  H  H38  1  0.519620  0.405324  0.472273  1
  H  H39  1  0.992472  -0.121265  0.451300  1
  H  H40  1  0.517124  0.764343  0.499269  1
  H  H41  1  0.529201  0.672475  0.610926  1
  H  H42  1  1.030021  -0.057967  0.598362  1
  H  H43  1  0.526928  0.431710  0.583696  1
  H  H44  1  1.024843  0.621274  0.566606  1
  H  H45  1  1.038157  -0.063048  0.546223  1
  H  H46  1  0.593915  -0.203250  0.517438  1
  H  H47  1  0.429064  -0.119891  0.493174  1
  H  H48  1  0.532123  0.419707  0.556136  1
  H  H49  1  1.021488  0.434044  0.512854  1
  H  H50  1  1.044587  0.523117  0.518874  1
  H  H51  1  1.102216  0.704333  0.557282  1
  H  H52  1  1.056947  0.624242  0.545301  1
  H  H53  1  0.533954  0.650141  0.456425  1
  H  H54  1  1.018364  0.404058  0.456830  1
  H  H55  1  0.526356  0.759619  0.620468  1
  H  H56  1  0.508506  0.443567  0.641599  1
  H  H57  1  1.030068  -0.061657  0.650815  1
  H  H58  1  0.582442  0.766673  0.714015  1
  H  H59  1  1.040646  0.053836  0.770479  1
  H  H60  1  1.040474  -0.044691  0.756075  1
  H  H61  1  0.537476  0.219444  0.787795  1
  H  H62  1  0.987008  0.403665  0.789023  1
  H  H63  1  1.042508  -0.046419  0.705980  1
  H  H64  1  0.538960  0.788870  0.732037  1
  H  H65  1  0.543957  -0.108877  0.664378  1
  H  H66  1  0.545603  0.399747  0.733370  1
  H  H67  1  0.798599  0.436482  0.677353  1
  H  H68  1  1.026018  0.542032  0.698693  1
  H  H69  1  1.071499  0.455574  0.772736  1
  H  H70  1  1.104306  0.561903  0.717157  1
  H  H71  1  0.600296  0.677607  0.631296  1
  H  H72  1  1.025471  0.442773  0.624479  1
