# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.38366854
_cell_length_b   9.04470983
_cell_length_c   45.62302651
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.49016532
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   3867.07175848
_cell_formula_units_Z   90
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  0.120095  0.802374  0.299071  1
  H  H2  1  0.709473  0.847691  0.305782  1
  H  H3  1  0.116205  0.463051  0.294239  1
  H  H4  1  0.298197  0.893334  0.312774  1
  H  H5  1  0.706399  0.498850  0.301219  1
  H  H6  1  0.527188  0.413731  0.287808  1
  H  H7  1  0.885638  0.575686  0.315438  1
  H  H8  1  0.471506  0.622375  0.322621  1
  H  H9  1  0.874205  0.213777  0.309123  1
  H  H10  1  0.297768  0.533132  0.308864  1
  H  H11  1  0.694394  0.129562  0.296394  1
  H  H12  1  0.282605  0.174174  0.302600  1
  H  H13  1  0.061174  0.650893  0.331874  1
  H  H14  1  0.650687  0.691589  0.338209  1
  H  H15  1  0.052244  0.290455  0.324012  1
  H  H16  1  0.240194  0.731305  0.345211  1
  H  H17  1  0.642848  0.332700  0.332781  1
  H  H18  1  0.463306  0.245389  0.317653  1
  H  H19  1  0.822215  0.410566  0.346678  1
  H  H20  1  0.413534  0.449346  0.353450  1
  H  H21  1  0.891857  0.925656  0.320448  1
  H  H22  1  0.232953  0.370038  0.339975  1
  H  H23  1  0.481886  0.966441  0.327133  1
  H  H24  1  0.070092  1.012645  0.334449  1
  H  H25  1  1.002138  0.484965  0.361070  1
  H  H26  1  0.590661  0.529110  0.368171  1
  H  H27  1  0.838772  0.129950  0.356072  1
  H  H28  1  0.183172  0.565738  0.375533  1
  H  H29  1  0.660597  0.048314  0.342814  1
  H  H30  1  0.249548  0.091394  0.349640  1
  H  H31  1  0.607340  0.248030  0.378127  1
  H  H32  1  0.428979  0.167495  0.363795  1
  H  H33  1  0.829153  0.769553  0.352357  1
  H  H34  1  0.017718  0.209293  0.370736  1
  H  H35  1  0.417529  0.812741  0.359392  1
  H  H36  1  0.008804  0.851970  0.366041  1
  H  H37  1  0.786464  0.326936  0.392312  1
  H  H38  1  0.377153  0.365777  0.399523  1
  H  H39  1  0.779645  0.967835  0.387331  1
  H  H40  1  0.197247  0.287395  0.385528  1
  H  H41  1  0.598383  0.889028  0.373303  1
  H  H42  1  0.187967  0.930166  0.380137  1
  H  H43  1  0.549239  0.084866  0.408702  1
  H  H44  1  0.368692  1.007613  0.394677  1
  H  H45  1  0.772355  0.605009  0.382610  1
  H  H46  1  0.958362  0.047446  0.401397  1
  H  H47  1  0.362084  0.645307  0.389445  1
  H  H48  1  0.952832  0.684166  0.396343  1
  H  H49  1  0.728488  0.163714  0.422938  1
  H  H50  1  0.318559  0.203034  0.430206  1
  H  H51  1  0.721609  0.803241  0.417702  1
  H  H52  1  0.138487  0.124473  0.415828  1
  H  H53  1  0.541860  0.724467  0.403663  1
  H  H54  1  0.131388  0.764714  0.410479  1
  H  H55  1  0.490858  0.920972  0.439219  1
  H  H56  1  0.310927  0.842684  0.424777  1
  H  H57  1  0.556151  0.445388  0.414022  1
  H  H58  1  0.901139  0.881891  0.431878  1
  H  H59  1  0.145939  0.484865  0.421293  1
  H  H60  1  0.966510  0.405081  0.406973  1
  H  H61  1  0.670731  0.999314  0.453424  1
  H  H62  1  0.260466  0.038437  0.460584  1
  H  H63  1  0.735694  0.524042  0.428386  1
  H  H64  1  0.080432  0.960409  0.446229  1
  H  H65  1  0.325253  0.564266  0.435408  1
  H  H66  1  0.915332  0.603938  0.442547  1
  H  H67  1  0.505005  0.643515  0.449745  1
  H  H68  1  0.095042  0.683566  0.456850  1
  H  H69  1  0.498076  0.281472  0.444402  1
  H  H70  1  0.685193  0.722284  0.464017  1
  H  H71  1  0.088119  0.320424  0.451617  1
  H  H72  1  0.908054  0.241958  0.437268  1
  H  H73  1  0.454932  0.840617  0.485557  1
  H  H74  1  0.274916  0.762213  0.471186  1
  H  H75  1  0.677903  0.359876  0.458699  1
  H  H76  1  0.865037  0.801451  0.478340  1
  H  H77  1  0.267811  0.399703  0.465878  1
  H  H78  1  0.857900  0.438746  0.472974  1
  H  H79  1  0.447617  0.478469  0.480095  1
  H  H80  1  0.037590  0.517930  0.487232  1
  H  H81  1  0.440337  0.117094  0.474875  1
  H  H82  1  0.627613  0.556941  0.494383  1
  H  H83  1  0.030153  0.156075  0.481999  1
  H  H84  1  0.850372  0.077567  0.467659  1
  H  H85  1  0.397306  0.675236  0.515897  1
  H  H86  1  0.217358  0.596849  0.501557  1
  H  H87  1  0.620145  0.195494  0.489090  1
  H  H88  1  0.807423  0.635817  0.508711  1
  H  H89  1  0.210042  0.234875  0.496274  1
  H  H90  1  0.800074  0.273782  0.503357  1
  H  H91  1  0.389932  0.313618  0.510511  1
  H  H92  1  0.979912  0.352594  0.517677  1
  H  H93  1  0.224584  0.959172  0.507048  1
  H  H94  1  0.570052  0.391693  0.524793  1
  H  H95  1  0.044751  0.880566  0.492722  1
  H  H96  1  0.634795  0.919458  0.499829  1
  H  H97  1  0.340104  0.509610  0.546256  1
  H  H98  1  0.159867  0.431286  0.531950  1
  H  H99  1  0.404399  0.037938  0.521285  1
  H  H100  1  0.750080  0.469915  0.539077  1
  H  H101  1  0.994336  0.077568  0.528541  1
  H  H102  1  0.814557  0.998646  0.514172  1
  H  H103  1  0.174039  0.156091  0.542788  1
  H  H104  1  0.764476  0.195129  0.549987  1
  H  H105  1  0.167031  0.793896  0.537361  1
  H  H106  1  0.584392  0.116663  0.535572  1
  H  H107  1  0.987175  0.714869  0.523029  1
  H  H108  1  0.577214  0.753867  0.530177  1
  H  H109  1  0.354109  0.234479  0.557033  1
  H  H110  1  0.944016  0.273664  0.564362  1
  H  H111  1  0.346946  0.872654  0.551608  1
  H  H112  1  0.534556  0.312336  0.571396  1
  H  H113  1  0.936897  0.912237  0.558779  1
  H  H114  1  0.756975  0.833144  0.544454  1
  H  H115  1  0.116696  0.991089  0.573159  1
  H  H116  1  0.706748  0.030353  0.580243  1
  H  H117  1  0.110330  0.627736  0.567575  1
  H  H118  1  0.526651  0.951555  0.565856  1
  H  H119  1  0.930063  0.548810  0.553383  1
  H  H120  1  0.520309  0.587762  0.560533  1
  H  H121  1  0.295921  0.069678  0.587385  1
  H  H122  1  0.886693  0.108024  0.594833  1
  H  H123  1  0.290244  0.706941  0.581856  1
  H  H124  1  0.476332  0.147795  0.601774  1
  H  H125  1  0.880025  0.746256  0.588892  1
  H  H126  1  0.700270  0.666645  0.574683  1
  H  H127  1  0.059692  0.825048  0.603229  1
  H  H128  1  0.649616  0.864315  0.610181  1
  H  H129  1  0.123804  0.351715  0.578556  1
  H  H130  1  0.469793  0.785394  0.596042  1
  H  H131  1  0.714310  0.390606  0.585760  1
  H  H132  1  0.304439  0.429989  0.592823  1
  H  H133  1  0.238687  0.904325  0.617816  1
  H  H134  1  0.828730  0.942417  0.624882  1
  H  H135  1  0.074959  0.548548  0.613857  1
  H  H136  1  0.418034  0.982484  0.631617  1
  H  H137  1  0.894095  0.470198  0.600090  1
  H  H138  1  0.485054  0.508059  0.607113  1
  H  H139  1  0.846101  0.668074  0.635209  1
  H  H140  1  0.664857  0.588270  0.621114  1
  H  H141  1  0.065022  0.187313  0.609297  1
  H  H142  1  0.256122  0.626822  0.627903  1
  H  H143  1  0.656414  0.225370  0.616447  1
  H  H144  1  0.245274  0.266186  0.623107  1
  H  H145  1  0.027304  0.743330  0.649222  1
  H  H146  1  0.615932  0.786337  0.656183  1
  H  H147  1  0.016099  0.387780  0.644787  1
  H  H148  1  0.436224  0.705570  0.642209  1
  H  H149  1  0.835028  0.305745  0.630441  1
  H  H150  1  0.426838  0.343739  0.637460  1
  H  H151  1  0.786900  0.506863  0.665650  1
  H  H152  1  0.606164  0.425025  0.651970  1
  H  H153  1  0.008073  0.018646  0.639755  1
  H  H154  1  0.197796  0.464205  0.658608  1
  H  H155  1  0.597599  0.058759  0.646477  1
  H  H156  1  0.185515  0.102654  0.653606  1
  H  H157  1  0.966893  0.589084  0.681246  1
  H  H158  1  0.556915  0.629837  0.687943  1
  H  H159  1  0.954095  0.221330  0.674055  1
  H  H160  1  0.377263  0.543859  0.672719  1
  H  H161  1  0.777610  0.138293  0.661136  1
  H  H162  1  0.364465  0.179024  0.667265  1
  H  H163  1  0.721548  0.345393  0.696273  1
  H  H164  1  0.543820  0.256245  0.682017  1
  H  H165  1  0.794144  0.863205  0.671112  1
  H  H166  1  0.131952  0.304059  0.689744  1
  H  H167  1  0.382769  0.902413  0.677320  1
  H  H168  1  0.204935  0.821052  0.663760  1
  H  H169  1  0.904875  0.418828  0.710997  1
  H  H170  1  0.495632  0.460579  0.717761  1
  H  H171  1  0.973511  0.930580  0.686785  1
  H  H172  1  0.316557  0.375250  0.704053  1
  H  H173  1  0.558466  0.978551  0.693627  1
  H  H174  1  0.147062  0.021887  0.699774  1
  H  H175  1  0.734643  0.062840  0.707947  1
  H  H176  1  0.327389  0.097181  0.714251  1
  H  H177  1  0.735704  0.704755  0.703249  1
  H  H178  1  0.916972  0.145121  0.720672  1
  H  H179  1  0.324642  0.745531  0.709734  1
  H  H180  1  0.148433  0.656862  0.696390  1
