# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.90855010
_cell_length_b   13.82060600
_cell_length_c   49.22126634
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   133.16258624
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   9382.38114307
_cell_formula_units_Z   126
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  0.411273  0.822545  0.270732  1
  H  H2  1  0.077939  0.822545  0.270732  1
  H  H3  1  0.098017  0.529368  0.292954  1
  H  H4  1  0.744606  0.822545  0.270732  1
  H  H5  1  0.764684  0.529368  0.292954  1
  H  H6  1  0.784762  0.236190  0.315176  1
  H  H7  1  0.431351  0.529368  0.292954  1
  H  H8  1  0.451428  0.236190  0.315176  1
  H  H9  1  0.118095  0.236190  0.315176  1
  H  H10  1  0.600710  0.201420  0.295935  1
  H  H11  1  0.267377  0.201420  0.295935  1
  H  H12  1  0.287455  0.908243  0.318157  1
  H  H13  1  0.934044  0.201420  0.295935  1
  H  H14  1  0.954121  0.908243  0.318157  1
  H  H15  1  0.913966  0.494598  0.273713  1
  H  H16  1  0.620788  0.908243  0.318157  1
  H  H17  1  0.580632  0.494598  0.273713  1
  H  H18  1  0.247299  0.494598  0.273713  1
  H  H19  1  0.587978  0.175957  0.281843  1
  H  H20  1  0.254645  0.175957  0.281843  1
  H  H21  1  0.274723  0.882779  0.304065  1
  H  H22  1  0.921312  0.175957  0.281843  1
  H  H23  1  0.941389  0.882779  0.304065  1
  H  H24  1  0.961467  0.589601  0.326287  1
  H  H25  1  0.608056  0.882779  0.304065  1
  H  H26  1  0.628134  0.589601  0.326287  1
  H  H27  1  0.294800  0.589601  0.326287  1
  H  H28  1  0.424005  0.848009  0.284824  1
  H  H29  1  0.090671  0.848009  0.284824  1
  H  H30  1  0.110749  0.554832  0.307046  1
  H  H31  1  0.757338  0.848009  0.284824  1
  H  H32  1  0.777416  0.554832  0.307046  1
  H  H33  1  0.797494  0.261654  0.329268  1
  H  H34  1  0.444082  0.554832  0.307046  1
  H  H35  1  0.464160  0.261654  0.329268  1
  H  H36  1  0.130827  0.261654  0.329268  1
  H  H37  1  0.471506  0.943012  0.337399  1
  H  H38  1  0.138173  0.943012  0.337399  1
  H  H39  1  0.158250  0.649834  0.359621  1
  H  H40  1  0.804839  0.943012  0.337399  1
  H  H41  1  0.824917  0.649834  0.359621  1
  H  H42  1  0.844995  0.356656  0.381843  1
  H  H43  1  0.491584  0.649834  0.359621  1
  H  H44  1  0.511662  0.356656  0.381843  1
  H  H45  1  0.178328  0.356656  0.381843  1
  H  H46  1  0.660944  0.321887  0.362601  1
  H  H47  1  0.327610  0.321887  0.362601  1
  H  H48  1  0.347688  0.028709  0.384824  1
  H  H49  1  0.994277  0.321887  0.362601  1
  H  H50  1  0.014355  0.028709  0.384824  1
  H  H51  1  0.974199  0.615065  0.340379  1
  H  H52  1  0.681021  0.028709  0.384824  1
  H  H53  1  0.640866  0.615065  0.340379  1
  H  H54  1  0.307532  0.615065  0.340379  1
  H  H55  1  0.648212  0.296423  0.348510  1
  H  H56  1  0.314878  0.296423  0.348510  1
  H  H57  1  0.334956  0.003245  0.370732  1
  H  H58  1  0.981545  0.296423  0.348510  1
  H  H59  1  0.001623  0.003245  0.370732  1
  H  H60  1  0.021700  0.710068  0.392954  1
  H  H61  1  0.668289  0.003245  0.370732  1
  H  H62  1  0.688367  0.710068  0.392954  1
  H  H63  1  0.355034  0.710068  0.392954  1
  H  H64  1  0.484238  0.968476  0.351490  1
  H  H65  1  0.150905  0.968476  0.351490  1
  H  H66  1  0.170982  0.675298  0.373713  1
  H  H67  1  0.817571  0.968476  0.351490  1
  H  H68  1  0.837649  0.675298  0.373713  1
  H  H69  1  0.857727  0.382120  0.395935  1
  H  H70  1  0.504316  0.675298  0.373713  1
  H  H71  1  0.524393  0.382120  0.395935  1
  H  H72  1  0.191060  0.382120  0.395935  1
  H  H73  1  0.531739  0.063479  0.404065  1
  H  H74  1  0.198406  0.063479  0.404065  1
  H  H75  1  0.218484  0.770301  0.426287  1
  H  H76  1  0.865073  0.063479  0.404065  1
  H  H77  1  0.885150  0.770301  0.426287  1
  H  H78  1  0.905228  0.477123  0.448510  1
  H  H79  1  0.551817  0.770301  0.426287  1
  H  H80  1  0.571895  0.477123  0.448510  1
  H  H81  1  0.238562  0.477123  0.448510  1
  H  H82  1  0.721177  0.442354  0.429268  1
  H  H83  1  0.387843  0.442354  0.429268  1
  H  H84  1  0.407921  0.149176  0.451490  1
  H  H85  1  0.054510  0.442354  0.429268  1
  H  H86  1  0.074588  0.149176  0.451490  1
  H  H87  1  0.034432  0.735531  0.407046  1
  H  H88  1  0.741255  0.149176  0.451490  1
  H  H89  1  0.701099  0.735531  0.407046  1
  H  H90  1  0.367766  0.735531  0.407046  1
  H  H91  1  0.708445  0.416890  0.415176  1
  H  H92  1  0.375112  0.416890  0.415176  1
  H  H93  1  0.395189  0.123712  0.437399  1
  H  H94  1  0.041778  0.416890  0.415176  1
  H  H95  1  0.061856  0.123712  0.437399  1
  H  H96  1  0.081934  0.830534  0.459621  1
  H  H97  1  0.728523  0.123712  0.437399  1
  H  H98  1  0.748600  0.830534  0.459621  1
  H  H99  1  0.415267  0.830534  0.459621  1
  H  H100  1  0.544471  0.088943  0.418157  1
  H  H101  1  0.211138  0.088943  0.418157  1
  H  H102  1  0.231216  0.795765  0.440379  1
  H  H103  1  0.877805  0.088943  0.418157  1
  H  H104  1  0.897882  0.795765  0.440379  1
  H  H105  1  0.917960  0.502587  0.462601  1
  H  H106  1  0.564549  0.795765  0.440379  1
  H  H107  1  0.584627  0.502587  0.462601  1
  H  H108  1  0.251293  0.502587  0.462601  1
  H  H109  1  0.591973  0.183945  0.470732  1
  H  H110  1  0.258639  0.183945  0.470732  1
  H  H111  1  0.278717  0.890767  0.492954  1
  H  H112  1  0.925306  0.183945  0.470732  1
  H  H113  1  0.945384  0.890767  0.492954  1
  H  H114  1  0.965461  0.597590  0.515176  1
  H  H115  1  0.612050  0.890767  0.492954  1
  H  H116  1  0.632128  0.597590  0.515176  1
  H  H117  1  0.298795  0.597590  0.515176  1
  H  H118  1  0.781410  0.562820  0.495935  1
  H  H119  1  0.448077  0.562820  0.495935  1
  H  H120  1  0.468155  0.269642  0.518157  1
  H  H121  1  0.114743  0.562820  0.495935  1
  H  H122  1  0.134821  0.269642  0.518157  1
  H  H123  1  0.094666  0.855998  0.473713  1
  H  H124  1  0.801488  0.269642  0.518157  1
  H  H125  1  0.761332  0.855998  0.473713  1
  H  H126  1  0.427999  0.855998  0.473713  1
  H  H127  1  0.768678  0.537356  0.481843  1
  H  H128  1  0.435345  0.537356  0.481843  1
  H  H129  1  0.455423  0.244179  0.504065  1
  H  H130  1  0.102011  0.537356  0.481843  1
  H  H131  1  0.122089  0.244179  0.504065  1
  H  H132  1  0.142167  0.951001  0.526287  1
  H  H133  1  0.788756  0.244179  0.504065  1
  H  H134  1  0.808834  0.951001  0.526287  1
  H  H135  1  0.475500  0.951001  0.526287  1
  H  H136  1  0.604705  0.209409  0.484824  1
  H  H137  1  0.271371  0.209409  0.484824  1
  H  H138  1  0.291449  0.916231  0.507046  1
  H  H139  1  0.938038  0.209409  0.484824  1
  H  H140  1  0.958116  0.916231  0.507046  1
  H  H141  1  0.978193  0.623053  0.529268  1
  H  H142  1  0.624782  0.916231  0.507046  1
  H  H143  1  0.644860  0.623053  0.529268  1
  H  H144  1  0.311527  0.623053  0.529268  1
  H  H145  1  0.652206  0.304412  0.537399  1
  H  H146  1  0.318873  0.304412  0.537399  1
  H  H147  1  0.338950  0.011234  0.559621  1
  H  H148  1  0.985539  0.304412  0.537399  1
  H  H149  1  0.005617  0.011234  0.559621  1
  H  H150  1  0.025695  0.718056  0.581843  1
  H  H151  1  0.672284  0.011234  0.559621  1
  H  H152  1  0.692361  0.718056  0.581843  1
  H  H153  1  0.359028  0.718056  0.581843  1
  H  H154  1  0.841643  0.683287  0.562601  1
  H  H155  1  0.508310  0.683287  0.562601  1
  H  H156  1  0.528388  0.390109  0.584824  1
  H  H157  1  0.174977  0.683287  0.562601  1
  H  H158  1  0.195054  0.390109  0.584824  1
  H  H159  1  0.154899  0.976465  0.540379  1
  H  H160  1  0.861721  0.390109  0.584824  1
  H  H161  1  0.821566  0.976465  0.540379  1
  H  H162  1  0.488232  0.976465  0.540379  1
  H  H163  1  0.828911  0.657823  0.548510  1
  H  H164  1  0.495578  0.657823  0.548510  1
  H  H165  1  0.515656  0.364645  0.570732  1
  H  H166  1  0.162245  0.657823  0.548510  1
  H  H167  1  0.182323  0.364645  0.570732  1
  H  H168  1  0.202400  0.071467  0.592954  1
  H  H169  1  0.848989  0.364645  0.570732  1
  H  H170  1  0.869067  0.071467  0.592954  1
  H  H171  1  0.535734  0.071467  0.592954  1
  H  H172  1  0.664938  0.329876  0.551490  1
  H  H173  1  0.331605  0.329876  0.551490  1
  H  H174  1  0.351682  0.036698  0.573713  1
  H  H175  1  0.998271  0.329876  0.551490  1
  H  H176  1  0.018349  0.036698  0.573713  1
  H  H177  1  0.038427  0.743520  0.595935  1
  H  H178  1  0.685016  0.036698  0.573713  1
  H  H179  1  0.705093  0.743520  0.595935  1
  H  H180  1  0.371760  0.743520  0.595935  1
  H  H181  1  0.712439  0.424878  0.604065  1
  H  H182  1  0.379106  0.424878  0.604065  1
  H  H183  1  0.399184  0.131701  0.626287  1
  H  H184  1  0.045773  0.424878  0.604065  1
  H  H185  1  0.065850  0.131701  0.626287  1
  H  H186  1  0.085928  0.838523  0.648510  1
  H  H187  1  0.732517  0.131701  0.626287  1
  H  H188  1  0.752595  0.838523  0.648510  1
  H  H189  1  0.419261  0.838523  0.648510  1
  H  H190  1  0.901877  0.803753  0.629268  1
  H  H191  1  0.568543  0.803753  0.629268  1
  H  H192  1  0.588621  0.510576  0.651490  1
  H  H193  1  0.235210  0.803753  0.629268  1
  H  H194  1  0.255288  0.510576  0.651490  1
  H  H195  1  0.215132  0.096931  0.607046  1
  H  H196  1  0.921954  0.510576  0.651490  1
  H  H197  1  0.881799  0.096931  0.607046  1
  H  H198  1  0.548466  0.096931  0.607046  1
  H  H199  1  0.889145  0.778289  0.615176  1
  H  H200  1  0.555811  0.778289  0.615176  1
  H  H201  1  0.575889  0.485112  0.637399  1
  H  H202  1  0.222478  0.778289  0.615176  1
  H  H203  1  0.242556  0.485112  0.637399  1
  H  H204  1  0.262634  0.191934  0.659621  1
  H  H205  1  0.909222  0.485112  0.637399  1
  H  H206  1  0.929300  0.191934  0.659621  1
  H  H207  1  0.595967  0.191934  0.659621  1
  H  H208  1  0.725171  0.450342  0.618157  1
  H  H209  1  0.391838  0.450342  0.618157  1
  H  H210  1  0.411916  0.157164  0.640379  1
  H  H211  1  0.058504  0.450342  0.618157  1
  H  H212  1  0.078582  0.157164  0.640379  1
  H  H213  1  0.098660  0.863987  0.662601  1
  H  H214  1  0.745249  0.157164  0.640379  1
  H  H215  1  0.765327  0.863987  0.662601  1
  H  H216  1  0.431993  0.863987  0.662601  1
  H  H217  1  0.772672  0.545345  0.670732  1
  H  H218  1  0.439339  0.545345  0.670732  1
  H  H219  1  0.459417  0.252167  0.692954  1
  H  H220  1  0.106006  0.545345  0.670732  1
  H  H221  1  0.126084  0.252167  0.692954  1
  H  H222  1  0.146161  0.958989  0.715176  1
  H  H223  1  0.792750  0.252167  0.692954  1
  H  H224  1  0.812828  0.958989  0.715176  1
  H  H225  1  0.479495  0.958989  0.715176  1
  H  H226  1  0.962110  0.924220  0.695935  1
  H  H227  1  0.628777  0.924220  0.695935  1
  H  H228  1  0.648854  0.631042  0.718157  1
  H  H229  1  0.295443  0.924220  0.695935  1
  H  H230  1  0.315521  0.631042  0.718157  1
  H  H231  1  0.275366  0.217398  0.673713  1
  H  H232  1  0.982188  0.631042  0.718157  1
  H  H233  1  0.942032  0.217398  0.673713  1
  H  H234  1  0.608699  0.217398  0.673713  1
  H  H235  1  0.949378  0.898756  0.681843  1
  H  H236  1  0.616045  0.898756  0.681843  1
  H  H237  1  0.636122  0.605578  0.704065  1
  H  H238  1  0.282711  0.898756  0.681843  1
  H  H239  1  0.302789  0.605578  0.704065  1
  H  H240  1  0.322867  0.312400  0.726287  1
  H  H241  1  0.969456  0.605578  0.704065  1
  H  H242  1  0.989534  0.312400  0.726287  1
  H  H243  1  0.656200  0.312400  0.726287  1
  H  H244  1  0.785404  0.570809  0.684824  1
  H  H245  1  0.452071  0.570809  0.684824  1
  H  H246  1  0.472149  0.277631  0.707046  1
  H  H247  1  0.118738  0.570809  0.684824  1
  H  H248  1  0.138816  0.277631  0.707046  1
  H  H249  1  0.158893  0.984453  0.729268  1
  H  H250  1  0.805482  0.277631  0.707046  1
  H  H251  1  0.825560  0.984453  0.729268  1
  H  H252  1  0.492227  0.984453  0.729268  1
