# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.00026001
_cell_length_b   6.18476875
_cell_length_c   46.10554604
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.84594527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H112
_cell_volume   2944.68341327
_cell_formula_units_Z   56
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
  H  H1  1  0.332066  0.011074  0.325196  1
  H  H2  1  0.874620  0.291401  0.293946  1
  H  H3  1  0.133682  0.994623  0.287291  1
  H  H4  1  0.591128  0.714295  0.318541  1
  H  H5  1  0.557787  0.679155  0.306459  1
  H  H6  1  0.015233  0.398827  0.337709  1
  H  H7  1  0.274295  0.102049  0.331054  1
  H  H8  1  0.816849  0.382376  0.299804  1
  H  H9  1  0.060789  0.870910  0.340821  1
  H  H10  1  0.603343  0.151238  0.309571  1
  H  H11  1  0.319851  0.574132  0.334166  1
  H  H12  1  0.862405  0.854459  0.302916  1
  H  H13  1  0.286510  0.538991  0.322084  1
  H  H14  1  0.829064  0.819319  0.290834  1
  H  H15  1  0.545572  0.242212  0.315429  1
  H  H16  1  0.088126  0.522540  0.284179  1
  H  H17  1  0.246958  0.450419  0.387696  1
  H  H18  1  0.789512  0.730747  0.356446  1
  H  H19  1  0.048574  0.433968  0.349791  1
  H  H20  1  0.506019  0.153640  0.381041  1
  H  H21  1  0.472679  0.118500  0.368959  1
  H  H22  1  0.930124  0.838173  0.400209  1
  H  H23  1  0.189186  0.541394  0.393554  1
  H  H24  1  0.731741  0.821721  0.362304  1
  H  H25  1  0.975681  0.310255  0.403321  1
  H  H26  1  0.518235  0.590583  0.372071  1
  H  H27  1  0.234742  0.013477  0.396666  1
  H  H28  1  0.777297  0.293804  0.365416  1
  H  H29  1  0.201402  0.978336  0.384584  1
  H  H30  1  0.743956  0.258664  0.353334  1
  H  H31  1  0.460463  0.681558  0.377929  1
  H  H32  1  0.003018  0.961885  0.346679  1
  H  H33  1  0.161849  0.889764  0.450196  1
  H  H34  1  0.704403  0.170092  0.418946  1
  H  H35  1  0.963465  0.873313  0.412291  1
  H  H36  1  0.420911  0.592985  0.443541  1
  H  H37  1  0.387570  0.557845  0.431459  1
  H  H38  1  0.845016  0.277518  0.462709  1
  H  H39  1  0.104078  0.980739  0.456054  1
  H  H40  1  0.646632  0.261066  0.424804  1
  H  H41  1  0.890572  0.749600  0.465821  1
  H  H42  1  0.433126  0.029928  0.434571  1
  H  H43  1  0.149634  0.452822  0.459166  1
  H  H44  1  0.692188  0.733149  0.427916  1
  H  H45  1  0.116293  0.417681  0.447084  1
  H  H46  1  0.658847  0.698009  0.415834  1
  H  H47  1  0.375355  0.120903  0.440429  1
  H  H48  1  0.917909  0.401230  0.409179  1
  H  H49  1  0.076741  0.329109  0.512696  1
  H  H50  1  0.619295  0.609437  0.481446  1
  H  H51  1  0.878357  0.312658  0.474791  1
  H  H52  1  0.335803  0.032330  0.506041  1
  H  H53  1  0.302462  0.997190  0.493959  1
  H  H54  1  0.759908  0.716863  0.525209  1
  H  H55  1  0.018969  0.420084  0.518554  1
  H  H56  1  0.561524  0.700411  0.487304  1
  H  H57  1  0.805464  0.188945  0.528321  1
  H  H58  1  0.348018  0.469273  0.497071  1
  H  H59  1  0.064525  0.892167  0.521666  1
  H  H60  1  0.607080  0.172494  0.490416  1
  H  H61  1  0.031185  0.857026  0.509584  1
  H  H62  1  0.573739  0.137354  0.478334  1
  H  H63  1  0.290246  0.560248  0.502929  1
  H  H64  1  0.832801  0.840575  0.471679  1
  H  H65  1  0.991632  0.768454  0.575196  1
  H  H66  1  0.534186  0.048782  0.543946  1
  H  H67  1  0.793248  0.752003  0.537291  1
  H  H68  1  0.250694  0.471675  0.568541  1
  H  H69  1  0.217353  0.436535  0.556459  1
  H  H70  1  0.674799  0.156208  0.587709  1
  H  H71  1  0.933861  0.859429  0.581054  1
  H  H72  1  0.476415  0.139756  0.549804  1
  H  H73  1  0.720355  0.628290  0.590821  1
  H  H74  1  0.262909  0.908618  0.559571  1
  H  H75  1  0.979417  0.331512  0.584166  1
  H  H76  1  0.521971  0.611839  0.552916  1
  H  H77  1  0.946076  0.296371  0.572084  1
  H  H78  1  0.488630  0.576699  0.540834  1
  H  H79  1  0.205138  0.999593  0.565429  1
  H  H80  1  0.747692  0.279920  0.534179  1
  H  H81  1  0.906524  0.207799  0.637696  1
  H  H82  1  0.449078  0.488127  0.606446  1
  H  H83  1  0.708140  0.191348  0.599791  1
  H  H84  1  0.165586  0.911020  0.631041  1
  H  H85  1  0.132245  0.875880  0.618959  1
  H  H86  1  0.589691  0.595553  0.650209  1
  H  H87  1  0.848752  0.298774  0.643554  1
  H  H88  1  0.391307  0.579101  0.612304  1
  H  H89  1  0.635247  0.067635  0.653321  1
  H  H90  1  0.177801  0.347963  0.622071  1
  H  H91  1  0.894308  0.770857  0.646666  1
  H  H92  1  0.436863  0.051184  0.615416  1
  H  H93  1  0.860968  0.735716  0.634584  1
  H  H94  1  0.403522  0.016044  0.603334  1
  H  H95  1  0.120030  0.438938  0.627929  1
  H  H96  1  0.662584  0.719265  0.596679  1
  H  H97  1  0.821415  0.647144  0.700196  1
  H  H98  1  0.363970  0.927472  0.668946  1
  H  H99  1  0.623031  0.630693  0.662291  1
  H  H100  1  0.080477  0.350365  0.693541  1
  H  H101  1  0.047136  0.315225  0.681459  1
  H  H102  1  0.504582  0.034898  0.712709  1
  H  H103  1  0.763644  0.738119  0.706054  1
  H  H104  1  0.306198  0.018446  0.674804  1
  H  H105  1  0.550138  0.506980  0.715821  1
  H  H106  1  0.092692  0.787308  0.684571  1
  H  H107  1  0.809200  0.210202  0.709166  1
  H  H108  1  0.351754  0.490529  0.677916  1
  H  H109  1  0.775859  0.175061  0.697084  1
  H  H110  1  0.318413  0.455389  0.665834  1
  H  H111  1  0.034921  0.878283  0.690429  1
  H  H112  1  0.577475  0.158610  0.659179  1
