# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.34017206
_cell_length_b   10.72835242
_cell_length_c   46.89025315
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.27274351
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   5805.99300184
_cell_formula_units_Z   108
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  0.233088  0.617470  0.287812  1
  H  H2  1  0.496902  0.510074  0.321145  1
  H  H3  1  0.864995  0.563772  0.304479  1
  H  H4  1  0.233088  0.117470  0.287812  1
  H  H5  1  0.496902  0.010074  0.321145  1
  H  H6  1  0.864995  0.063772  0.304479  1
  H  H7  1  0.251760  0.056786  0.278859  1
  H  H8  1  0.515574  0.949389  0.312192  1
  H  H9  1  0.883667  0.003088  0.295526  1
  H  H10  1  0.251760  0.556786  0.278859  1
  H  H11  1  0.515574  0.449389  0.312192  1
  H  H12  1  0.883667  0.503088  0.295526  1
  H  H13  1  0.996902  0.760074  0.321145  1
  H  H14  1  0.364995  0.813772  0.304479  1
  H  H15  1  0.733088  0.867470  0.287812  1
  H  H16  1  0.996902  0.260074  0.321145  1
  H  H17  1  0.364995  0.313772  0.304479  1
  H  H18  1  0.733088  0.367470  0.287812  1
  H  H19  1  0.015574  0.699389  0.312192  1
  H  H20  1  0.383667  0.753088  0.295526  1
  H  H21  1  0.751760  0.806786  0.278859  1
  H  H22  1  0.015574  0.199389  0.312192  1
  H  H23  1  0.383667  0.253088  0.295526  1
  H  H24  1  0.751760  0.306786  0.278859  1
  H  H25  1  0.128810  0.456375  0.337812  1
  H  H26  1  0.392624  0.348978  0.371145  1
  H  H27  1  0.760717  0.402677  0.354479  1
  H  H28  1  0.128810  0.956375  0.337812  1
  H  H29  1  0.392624  0.848978  0.371145  1
  H  H30  1  0.760717  0.902677  0.354479  1
  H  H31  1  0.147482  0.895691  0.328859  1
  H  H32  1  0.411296  0.788294  0.362192  1
  H  H33  1  0.779389  0.841993  0.345526  1
  H  H34  1  0.147482  0.395691  0.328859  1
  H  H35  1  0.411296  0.288294  0.362192  1
  H  H36  1  0.779389  0.341993  0.345526  1
  H  H37  1  0.892624  0.598978  0.371145  1
  H  H38  1  0.260717  0.652677  0.354479  1
  H  H39  1  0.628810  0.706375  0.337812  1
  H  H40  1  0.892624  0.098978  0.371145  1
  H  H41  1  0.260717  0.152677  0.354479  1
  H  H42  1  0.628810  0.206375  0.337812  1
  H  H43  1  0.911296  0.538294  0.362192  1
  H  H44  1  0.279389  0.591993  0.345526  1
  H  H45  1  0.647482  0.645691  0.328859  1
  H  H46  1  0.911296  0.038294  0.362192  1
  H  H47  1  0.279389  0.091993  0.345526  1
  H  H48  1  0.647482  0.145691  0.328859  1
  H  H49  1  0.024531  0.295280  0.387812  1
  H  H50  1  0.288346  0.187883  0.421145  1
  H  H51  1  0.656438  0.241581  0.404479  1
  H  H52  1  0.024531  0.795280  0.387812  1
  H  H53  1  0.288346  0.687883  0.421145  1
  H  H54  1  0.656438  0.741581  0.404479  1
  H  H55  1  0.043203  0.734596  0.378859  1
  H  H56  1  0.307018  0.627199  0.412192  1
  H  H57  1  0.675110  0.680897  0.395526  1
  H  H58  1  0.043203  0.234596  0.378859  1
  H  H59  1  0.307018  0.127199  0.412192  1
  H  H60  1  0.675110  0.180897  0.395526  1
  H  H61  1  0.788346  0.437883  0.421145  1
  H  H62  1  0.156438  0.491581  0.404479  1
  H  H63  1  0.524531  0.545280  0.387812  1
  H  H64  1  0.788346  0.937883  0.421145  1
  H  H65  1  0.156438  0.991581  0.404479  1
  H  H66  1  0.524531  0.045280  0.387812  1
  H  H67  1  0.807018  0.377199  0.412192  1
  H  H68  1  0.175110  0.430897  0.395526  1
  H  H69  1  0.543203  0.484596  0.378859  1
  H  H70  1  0.807018  0.877199  0.412192  1
  H  H71  1  0.175110  0.930897  0.395526  1
  H  H72  1  0.543203  0.984596  0.378859  1
  H  H73  1  0.920253  0.134184  0.437812  1
  H  H74  1  0.184067  0.026788  0.471145  1
  H  H75  1  0.552160  0.080486  0.454479  1
  H  H76  1  0.920253  0.634184  0.437812  1
  H  H77  1  0.184067  0.526788  0.471145  1
  H  H78  1  0.552160  0.580486  0.454479  1
  H  H79  1  0.938925  0.573500  0.428859  1
  H  H80  1  0.202739  0.466104  0.462192  1
  H  H81  1  0.570832  0.519802  0.445526  1
  H  H82  1  0.938925  0.073500  0.428859  1
  H  H83  1  0.202739  0.966104  0.462192  1
  H  H84  1  0.570832  0.019802  0.445526  1
  H  H85  1  0.684067  0.276788  0.471145  1
  H  H86  1  0.052160  0.330486  0.454479  1
  H  H87  1  0.420253  0.384184  0.437812  1
  H  H88  1  0.684067  0.776788  0.471145  1
  H  H89  1  0.052160  0.830486  0.454479  1
  H  H90  1  0.420253  0.884184  0.437812  1
  H  H91  1  0.702739  0.216104  0.462192  1
  H  H92  1  0.070832  0.269802  0.445526  1
  H  H93  1  0.438925  0.323500  0.428859  1
  H  H94  1  0.702739  0.716104  0.462192  1
  H  H95  1  0.070832  0.769802  0.445526  1
  H  H96  1  0.438925  0.823500  0.428859  1
  H  H97  1  0.815974  0.973089  0.487812  1
  H  H98  1  0.079789  0.865692  0.521145  1
  H  H99  1  0.447882  0.919391  0.504479  1
  H  H100  1  0.815974  0.473089  0.487812  1
  H  H101  1  0.079789  0.365692  0.521145  1
  H  H102  1  0.447882  0.419391  0.504479  1
  H  H103  1  0.834646  0.412405  0.478859  1
  H  H104  1  0.098461  0.305008  0.512192  1
  H  H105  1  0.466554  0.358707  0.495526  1
  H  H106  1  0.834646  0.912405  0.478859  1
  H  H107  1  0.098461  0.805008  0.512192  1
  H  H108  1  0.466554  0.858707  0.495526  1
  H  H109  1  0.579789  0.115692  0.521145  1
  H  H110  1  0.947882  0.169391  0.504479  1
  H  H111  1  0.315974  0.223089  0.487812  1
  H  H112  1  0.579789  0.615692  0.521145  1
  H  H113  1  0.947882  0.669391  0.504479  1
  H  H114  1  0.315974  0.723089  0.487812  1
  H  H115  1  0.598461  0.055008  0.512192  1
  H  H116  1  0.966554  0.108707  0.495526  1
  H  H117  1  0.334646  0.162405  0.478859  1
  H  H118  1  0.598461  0.555008  0.512192  1
  H  H119  1  0.966554  0.608707  0.495526  1
  H  H120  1  0.334646  0.662405  0.478859  1
  H  H121  1  0.711696  0.811994  0.537812  1
  H  H122  1  0.975510  0.704597  0.571145  1
  H  H123  1  0.343603  0.758295  0.554479  1
  H  H124  1  0.711696  0.311994  0.537812  1
  H  H125  1  0.975510  0.204597  0.571145  1
  H  H126  1  0.343603  0.258295  0.554479  1
  H  H127  1  0.730368  0.251310  0.528859  1
  H  H128  1  0.994182  0.143913  0.562192  1
  H  H129  1  0.362275  0.197611  0.545526  1
  H  H130  1  0.730368  0.751310  0.528859  1
  H  H131  1  0.994182  0.643913  0.562192  1
  H  H132  1  0.362275  0.697611  0.545526  1
  H  H133  1  0.475510  0.954597  0.571145  1
  H  H134  1  0.843603  0.008295  0.554479  1
  H  H135  1  0.211696  0.061994  0.537812  1
  H  H136  1  0.475510  0.454597  0.571145  1
  H  H137  1  0.843603  0.508295  0.554479  1
  H  H138  1  0.211696  0.561994  0.537812  1
  H  H139  1  0.494182  0.893913  0.562192  1
  H  H140  1  0.862275  0.947611  0.545526  1
  H  H141  1  0.230368  0.001310  0.528859  1
  H  H142  1  0.494182  0.393913  0.562192  1
  H  H143  1  0.862275  0.447611  0.545526  1
  H  H144  1  0.230368  0.501310  0.528859  1
  H  H145  1  0.607418  0.650899  0.587812  1
  H  H146  1  0.871232  0.543502  0.621145  1
  H  H147  1  0.239325  0.597200  0.604479  1
  H  H148  1  0.607418  0.150899  0.587812  1
  H  H149  1  0.871232  0.043502  0.621145  1
  H  H150  1  0.239325  0.097200  0.604479  1
  H  H151  1  0.626090  0.090214  0.578859  1
  H  H152  1  0.889904  0.982818  0.612192  1
  H  H153  1  0.257997  0.036516  0.595526  1
  H  H154  1  0.626090  0.590214  0.578859  1
  H  H155  1  0.889904  0.482818  0.612192  1
  H  H156  1  0.257997  0.536516  0.595526  1
  H  H157  1  0.371232  0.793502  0.621145  1
  H  H158  1  0.739325  0.847200  0.604479  1
  H  H159  1  0.107418  0.900899  0.587812  1
  H  H160  1  0.371232  0.293502  0.621145  1
  H  H161  1  0.739325  0.347200  0.604479  1
  H  H162  1  0.107418  0.400899  0.587812  1
  H  H163  1  0.389904  0.732818  0.612192  1
  H  H164  1  0.757997  0.786516  0.595526  1
  H  H165  1  0.126090  0.840214  0.578859  1
  H  H166  1  0.389904  0.232818  0.612192  1
  H  H167  1  0.757997  0.286516  0.595526  1
  H  H168  1  0.126090  0.340214  0.578859  1
  H  H169  1  0.503139  0.489803  0.637812  1
  H  H170  1  0.766954  0.382406  0.671145  1
  H  H171  1  0.135047  0.436105  0.654479  1
  H  H172  1  0.503139  0.989803  0.637812  1
  H  H173  1  0.766954  0.882406  0.671145  1
  H  H174  1  0.135047  0.936105  0.654479  1
  H  H175  1  0.521811  0.929119  0.628859  1
  H  H176  1  0.785626  0.821722  0.662192  1
  H  H177  1  0.153719  0.875421  0.645526  1
  H  H178  1  0.521811  0.429119  0.628859  1
  H  H179  1  0.785626  0.321722  0.662192  1
  H  H180  1  0.153719  0.375421  0.645526  1
  H  H181  1  0.266954  0.632406  0.671145  1
  H  H182  1  0.635047  0.686105  0.654479  1
  H  H183  1  0.003139  0.739803  0.637812  1
  H  H184  1  0.266954  0.132406  0.671145  1
  H  H185  1  0.635047  0.186105  0.654479  1
  H  H186  1  0.003139  0.239803  0.637812  1
  H  H187  1  0.285626  0.571722  0.662192  1
  H  H188  1  0.653719  0.625421  0.645526  1
  H  H189  1  0.021811  0.679119  0.628859  1
  H  H190  1  0.285626  0.071722  0.662192  1
  H  H191  1  0.653719  0.125421  0.645526  1
  H  H192  1  0.021811  0.179119  0.628859  1
  H  H193  1  0.398861  0.328708  0.687812  1
  H  H194  1  0.662675  0.221311  0.721145  1
  H  H195  1  0.030768  0.275010  0.704479  1
  H  H196  1  0.398861  0.828708  0.687812  1
  H  H197  1  0.662675  0.721311  0.721145  1
  H  H198  1  0.030768  0.775010  0.704479  1
  H  H199  1  0.417533  0.768024  0.678859  1
  H  H200  1  0.681347  0.660627  0.712192  1
  H  H201  1  0.049440  0.714325  0.695526  1
  H  H202  1  0.417533  0.268024  0.678859  1
  H  H203  1  0.681347  0.160627  0.712192  1
  H  H204  1  0.049440  0.214325  0.695526  1
  H  H205  1  0.162675  0.471311  0.721145  1
  H  H206  1  0.530768  0.525010  0.704479  1
  H  H207  1  0.898861  0.578708  0.687812  1
  H  H208  1  0.162675  0.971311  0.721145  1
  H  H209  1  0.530768  0.025010  0.704479  1
  H  H210  1  0.898861  0.078708  0.687812  1
  H  H211  1  0.181347  0.410627  0.712192  1
  H  H212  1  0.549440  0.464325  0.695526  1
  H  H213  1  0.917533  0.518024  0.678859  1
  H  H214  1  0.181347  0.910627  0.712192  1
  H  H215  1  0.549440  0.964325  0.695526  1
  H  H216  1  0.917533  0.018024  0.678859  1
