# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.95303766
_cell_length_b   8.04928380
_cell_length_c   49.98136259
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.30810892
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H240
_cell_volume   4803.57001158
_cell_formula_units_Z   120
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  0.436711  0.354816  0.273886  1
  H  H2  1  0.755799  0.315832  0.288445  1
  H  H3  1  1.117660  0.416087  0.258731  1
  H  H4  1  0.442945  0.637318  0.262136  1
  H  H5  1  0.757274  0.598049  0.277001  1
  H  H6  1  1.076660  0.575132  0.294825  1
  H  H7  1  0.376104  0.810585  0.296329  1
  H  H8  1  0.742290  0.886419  0.264415  1
  H  H9  1  1.056226  0.847953  0.278893  1
  H  H10  1  0.385681  0.078397  0.281121  1
  H  H11  1  0.704582  0.055048  0.300448  1
  H  H12  1  1.078541  0.129173  0.267798  1
  H  H13  1  0.255799  0.315832  0.288445  1
  H  H14  1  0.617660  0.416087  0.258731  1
  H  H15  1  0.936711  0.354816  0.273886  1
  H  H16  1  0.257274  0.598049  0.277001  1
  H  H17  1  0.576660  0.575132  0.294825  1
  H  H18  1  0.942945  0.637318  0.262136  1
  H  H19  1  0.242290  0.886419  0.264415  1
  H  H20  1  0.556226  0.847953  0.278893  1
  H  H21  1  0.876104  0.810585  0.296329  1
  H  H22  1  0.204582  0.055048  0.300448  1
  H  H23  1  0.578541  0.129173  0.267798  1
  H  H24  1  0.885681  0.078397  0.281121  1
  H  H25  1  0.396222  0.259118  0.319402  1
  H  H26  1  0.718130  0.231573  0.335941  1
  H  H27  1  1.077441  0.297391  0.305408  1
  H  H28  1  0.398212  0.534990  0.308516  1
  H  H29  1  0.719936  0.502696  0.323250  1
  H  H30  1  1.038795  0.477733  0.339306  1
  H  H31  1  0.334261  0.719178  0.341260  1
  H  H32  1  0.694684  0.781223  0.310650  1
  H  H33  1  1.014188  0.756227  0.326565  1
  H  H34  1  0.342634  -0.005740  0.329984  1
  H  H35  1  0.659391  -0.036253  0.344838  1
  H  H36  1  1.021238  0.027709  0.313691  1
  H  H37  1  0.218130  0.231573  0.335941  1
  H  H38  1  0.577441  0.297391  0.305408  1
  H  H39  1  0.896222  0.259118  0.319402  1
  H  H40  1  0.219936  0.502696  0.323250  1
  H  H41  1  0.538795  0.477733  0.339306  1
  H  H42  1  0.898212  0.534990  0.308516  1
  H  H43  1  0.194684  0.781223  0.310650  1
  H  H44  1  0.514188  0.756227  0.326565  1
  H  H45  1  0.834261  0.719178  0.341260  1
  H  H46  1  1.159391  -0.036253  0.344838  1
  H  H47  1  0.521238  0.027709  0.313691  1
  H  H48  1  0.842634  -0.005740  0.329984  1
  H  H49  1  0.358192  0.170400  0.366329  1
  H  H50  1  0.677533  0.139527  0.381384  1
  H  H51  1  1.037016  0.201895  0.350539  1
  H  H52  1  0.359516  0.442886  0.354036  1
  H  H53  1  0.679451  0.414248  0.369607  1
  H  H54  1  0.999301  0.383935  0.384847  1
  H  H55  1  0.294837  0.628469  0.386911  1
  H  H56  1  0.654987  0.688802  0.356274  1
  H  H57  1  0.974530  0.660753  0.371875  1
  H  H58  1  0.299035  0.902991  0.375323  1
  H  H59  1  0.619058  0.871881  0.390610  1
  H  H60  1  0.979874  0.935734  0.360511  1
  H  H61  1  1.177533  0.139527  0.381384  1
  H  H62  1  0.537016  0.201895  0.350539  1
  H  H63  1  0.858192  0.170400  0.366329  1
  H  H64  1  1.179451  0.414248  0.369607  1
  H  H65  1  0.499301  0.383935  0.384847  1
  H  H66  1  0.859516  0.442886  0.354036  1
  H  H67  1  1.154987  0.688802  0.356274  1
  H  H68  1  0.474530  0.660753  0.371875  1
  H  H69  1  0.794837  0.628469  0.386911  1
  H  H70  1  1.119058  0.871881  0.390610  1
  H  H71  1  0.479874  0.935734  0.360511  1
  H  H72  1  0.799035  0.902991  0.375323  1
  H  H73  1  0.317950  0.078862  0.412012  1
  H  H74  1  0.638297  0.047852  0.427321  1
  H  H75  1  0.998361  0.110011  0.396930  1
  H  H76  1  0.319414  0.353306  0.400187  1
  H  H77  1  0.639450  0.322382  0.415445  1
  H  H78  1  0.959359  0.292861  0.430788  1
  H  H79  1  0.255111  0.537615  0.432868  1
  H  H80  1  0.614992  0.598285  0.402300  1
  H  H81  1  0.934919  0.568593  0.417571  1
  H  H82  1  0.258393  0.811464  0.421109  1
  H  H83  1  0.577942  0.781477  0.436365  1
  H  H84  1  0.938384  0.843116  0.405953  1
  H  H85  1  1.138297  0.047852  0.427321  1
  H  H86  1  0.498361  0.110011  0.396930  1
  H  H87  1  0.817950  0.078862  0.412012  1
  H  H88  1  1.139450  0.322382  0.415445  1
  H  H89  1  0.459359  0.292861  0.430788  1
  H  H90  1  0.819414  0.353306  0.400187  1
  H  H91  1  1.114992  0.598285  0.402300  1
  H  H92  1  0.434919  0.568593  0.417571  1
  H  H93  1  0.755111  0.537615  0.432868  1
  H  H94  1  1.077942  0.781477  0.436365  1
  H  H95  1  0.438384  0.843116  0.405953  1
  H  H96  1  0.758393  0.811464  0.421109  1
  H  H97  1  0.277973  -0.012568  0.457864  1
  H  H98  1  0.597861  -0.043072  0.473122  1
  H  H99  1  0.958039  0.018319  0.442635  1
  H  H100  1  0.279529  0.261772  0.446029  1
  H  H101  1  0.599596  0.231235  0.461273  1
  H  H102  1  0.919590  0.201283  0.476607  1
  H  H103  1  0.215299  0.446560  0.478698  1
  H  H104  1  0.575174  0.507262  0.448123  1
  H  H105  1  0.895183  0.477210  0.463444  1
  H  H106  1  0.217532  0.720796  0.466886  1
  H  H107  1  0.537344  0.690303  0.482147  1
  H  H108  1  0.897786  0.751353  0.451664  1
  H  H109  1  1.097861  -0.043072  0.473122  1
  H  H110  1  0.458039  0.018319  0.442635  1
  H  H111  1  0.777973  -0.012568  0.457864  1
  H  H112  1  1.099596  0.231235  0.461273  1
  H  H113  1  0.419590  0.201283  0.476607  1
  H  H114  1  0.779529  0.261772  0.446029  1
  H  H115  1  1.075174  0.507262  0.448123  1
  H  H116  1  0.395183  0.477210  0.463444  1
  H  H117  1  0.715299  0.446560  0.478698  1
  H  H118  1  1.037344  0.690303  0.482147  1
  H  H119  1  0.397786  0.751353  0.451664  1
  H  H120  1  0.717532  0.720796  0.466886  1
  H  H121  1  0.237469  0.896427  0.503665  1
  H  H122  1  0.557215  0.865869  0.518888  1
  H  H123  1  0.917657  0.926920  0.488404  1
  H  H124  1  0.239702  0.170662  0.491853  1
  H  H125  1  0.559818  0.140012  0.507108  1
  H  H126  1  0.879827  0.109961  0.522428  1
  H  H127  1  1.175472  0.355451  0.524522  1
  H  H128  1  0.535411  0.415940  0.493944  1
  H  H129  1  0.855405  0.385988  0.509278  1
  H  H130  1  1.177028  0.629791  0.512687  1
  H  H131  1  0.496962  0.598904  0.527917  1
  H  H132  1  0.857140  0.660294  0.497429  1
  H  H133  1  1.057215  0.865869  0.518888  1
  H  H134  1  0.417657  0.926920  0.488404  1
  H  H135  1  0.737469  0.896427  0.503665  1
  H  H136  1  1.059818  0.140012  0.507108  1
  H  H137  1  0.379827  0.109961  0.522428  1
  H  H138  1  0.739702  0.170662  0.491853  1
  H  H139  1  1.035411  0.415940  0.493944  1
  H  H140  1  0.355405  0.385988  0.509278  1
  H  H141  1  0.675472  0.355451  0.524522  1
  H  H142  1  0.996962  0.598904  0.527917  1
  H  H143  1  0.357140  0.660294  0.497429  1
  H  H144  1  0.677028  0.629791  0.512687  1
  H  H145  1  0.196607  0.805759  0.549442  1
  H  H146  1  0.516617  0.774107  0.564598  1
  H  H147  1  0.877059  0.835745  0.534186  1
  H  H148  1  0.199890  0.079607  0.537683  1
  H  H149  1  0.520082  0.048630  0.552980  1
  H  H150  1  0.840009  0.018938  0.568251  1
  H  H151  1  1.135587  0.263916  0.570364  1
  H  H152  1  0.495642  0.324361  0.539764  1
  H  H153  1  0.815551  0.294841  0.555107  1
  H  H154  1  1.137051  0.538361  0.558539  1
  H  H155  1  0.456640  0.507211  0.573621  1
  H  H156  1  0.816704  0.569371  0.543231  1
  H  H157  1  1.016617  0.774107  0.564598  1
  H  H158  1  0.377059  0.835745  0.534186  1
  H  H159  1  0.696607  0.805759  0.549442  1
  H  H160  1  1.020082  0.048630  0.552980  1
  H  H161  1  0.340009  0.018938  0.568251  1
  H  H162  1  0.699890  0.079607  0.537683  1
  H  H163  1  0.995642  0.324361  0.539764  1
  H  H164  1  0.315551  0.294841  0.555107  1
  H  H165  1  0.635587  0.263916  0.570364  1
  H  H166  1  0.956640  0.507211  0.573621  1
  H  H167  1  0.316704  0.569371  0.543231  1
  H  H168  1  0.637051  0.538361  0.558539  1
  H  H169  1  1.155966  0.714231  0.595228  1
  H  H170  1  0.475127  0.681488  0.610040  1
  H  H171  1  0.835943  0.745342  0.579941  1
  H  H172  1  1.160163  -0.011246  0.583640  1
  H  H173  1  0.480471  -0.043530  0.598677  1
  H  H174  1  0.800014  0.928421  0.614278  1
  H  H175  1  1.095485  0.174336  0.616515  1
  H  H176  1  0.455700  0.233288  0.585704  1
  H  H177  1  0.775550  0.202975  0.600945  1
  H  H178  1  1.096809  0.446822  0.604222  1
  H  H179  1  0.417985  0.415328  0.620012  1
  H  H180  1  0.777468  0.477696  0.589167  1
  H  H181  1  0.975127  0.681488  0.610040  1
  H  H182  1  0.335943  0.745342  0.579941  1
  H  H183  1  0.655966  0.714231  0.595228  1
  H  H184  1  0.980471  -0.043530  0.598677  1
  H  H185  1  0.300014  0.928421  0.614278  1
  H  H186  1  0.660163  -0.011246  0.583640  1
  H  H187  1  0.955700  0.233288  0.585704  1
  H  H188  1  0.275550  0.202975  0.600945  1
  H  H189  1  0.595485  0.174336  0.616515  1
  H  H190  1  0.917985  0.415328  0.620012  1
  H  H191  1  0.277468  0.477696  0.589167  1
  H  H192  1  0.596809  0.446822  0.604222  1
  H  H193  1  1.112367  0.622963  0.640567  1
  H  H194  1  0.433763  0.589514  0.656861  1
  H  H195  1  0.795609  0.653475  0.625713  1
  H  H196  1  1.120740  0.898044  0.629292  1
  H  H197  1  0.440813  0.860996  0.643987  1
  H  H198  1  0.760317  0.836000  0.659901  1
  H  H199  1  1.056789  0.082232  0.662036  1
  H  H200  1  0.416206  0.139490  0.631245  1
  H  H201  1  0.735065  0.114527  0.647302  1
  H  H202  1  1.058779  0.358104  0.651149  1
  H  H203  1  0.377560  0.319832  0.665144  1
  H  H204  1  0.736871  0.385650  0.634610  1
  H  H205  1  0.933763  0.589514  0.656861  1
  H  H206  1  0.295609  0.653475  0.625713  1
  H  H207  1  0.612367  0.622963  0.640567  1
  H  H208  1  0.940813  0.860996  0.643987  1
  H  H209  1  0.260317  0.836000  0.659901  1
  H  H210  1  0.620740  0.898044  0.629292  1
  H  H211  1  0.916206  0.139490  0.631245  1
  H  H212  1  0.235065  0.114527  0.647302  1
  H  H213  1  0.556789  0.082232  0.662036  1
  H  H214  1  0.877560  0.319832  0.665144  1
  H  H215  1  0.236871  0.385650  0.634610  1
  H  H216  1  0.558779  0.358104  0.651149  1
  H  H217  1  1.069320  0.538826  0.689430  1
  H  H218  1  0.376460  0.488049  0.702753  1
  H  H219  1  0.750419  0.562175  0.670103  1
  H  H220  1  1.078897  0.806638  0.674223  1
  H  H221  1  0.398775  0.769269  0.691659  1
  H  H222  1  0.712711  0.730803  0.706136  1
  H  H223  1  1.012056  -0.020095  0.708415  1
  H  H224  1  0.378341  0.042091  0.675726  1
  H  H225  1  0.697727  0.019174  0.693550  1
  H  H226  1  1.018290  0.262407  0.696665  1
  H  H227  1  0.337341  0.201136  0.711821  1
  H  H228  1  0.699202  0.301391  0.682106  1
  H  H229  1  0.876460  0.488049  0.702753  1
  H  H230  1  0.250419  0.562175  0.670103  1
  H  H231  1  0.569320  0.538826  0.689430  1
  H  H232  1  0.898775  0.769269  0.691659  1
  H  H233  1  0.212711  0.730803  0.706136  1
  H  H234  1  0.578897  0.806638  0.674223  1
  H  H235  1  0.878341  0.042091  0.675726  1
  H  H236  1  0.197727  0.019174  0.693550  1
  H  H237  1  0.512056  -0.020095  0.708415  1
  H  H238  1  0.837341  0.201136  0.711821  1
  H  H239  1  0.199202  0.301391  0.682106  1
  H  H240  1  0.518290  0.262407  0.696665  1
