# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29977538
_cell_length_b   12.77740080
_cell_length_c   46.23573552
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.76877913
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   5568.70601546
_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  0.545629  0.341258  0.321478  1
  H  H2  1  0.045629  0.341258  0.321478  1
  H  H3  1  0.978459  0.706917  0.304811  1
  H  H4  1  0.411288  0.072576  0.288144  1
  H  H5  1  0.478459  0.706917  0.304811  1
  H  H6  1  0.911288  0.072576  0.288144  1
  H  H7  1  0.439680  0.129360  0.295189  1
  H  H8  1  0.939680  0.129360  0.295189  1
  H  H9  1  0.872510  0.495019  0.278522  1
  H  H10  1  0.006851  0.763701  0.311856  1
  H  H11  1  0.372510  0.495019  0.278522  1
  H  H12  1  0.506851  0.763701  0.311856  1
  H  H13  1  0.728459  0.206917  0.304811  1
  H  H14  1  0.228459  0.206917  0.304811  1
  H  H15  1  0.161288  0.572576  0.288144  1
  H  H16  1  0.295629  0.841258  0.321478  1
  H  H17  1  0.661288  0.572576  0.288144  1
  H  H18  1  0.795629  0.841258  0.321478  1
  H  H19  1  0.756851  0.263701  0.311856  1
  H  H20  1  0.256851  0.263701  0.311856  1
  H  H21  1  0.189680  0.629360  0.295189  1
  H  H22  1  0.622510  0.995019  0.278522  1
  H  H23  1  0.689680  0.629360  0.295189  1
  H  H24  1  0.122510  0.995019  0.278522  1
  H  H25  1  0.247141  0.244282  0.371478  1
  H  H26  1  0.747141  0.244282  0.371478  1
  H  H27  1  0.679970  0.609940  0.354811  1
  H  H28  1  0.112800  0.975599  0.338144  1
  H  H29  1  0.179970  0.609940  0.354811  1
  H  H30  1  0.612800  0.975599  0.338144  1
  H  H31  1  0.141192  0.032383  0.345189  1
  H  H32  1  0.641192  0.032383  0.345189  1
  H  H33  1  0.574021  0.398042  0.328522  1
  H  H34  1  0.708362  0.666724  0.361856  1
  H  H35  1  0.074021  0.398042  0.328522  1
  H  H36  1  0.208362  0.666724  0.361856  1
  H  H37  1  0.429970  0.109940  0.354811  1
  H  H38  1  0.929970  0.109940  0.354811  1
  H  H39  1  0.862800  0.475599  0.338144  1
  H  H40  1  0.997141  0.744282  0.371478  1
  H  H41  1  0.362800  0.475599  0.338144  1
  H  H42  1  0.497141  0.744282  0.371478  1
  H  H43  1  0.458362  0.166724  0.361856  1
  H  H44  1  0.958362  0.166724  0.361856  1
  H  H45  1  0.891192  0.532383  0.345189  1
  H  H46  1  0.324021  0.898042  0.328522  1
  H  H47  1  0.391192  0.532383  0.345189  1
  H  H48  1  0.824021  0.898042  0.328522  1
  H  H49  1  0.948652  0.147305  0.421478  1
  H  H50  1  0.448652  0.147305  0.421478  1
  H  H51  1  0.381482  0.512964  0.404811  1
  H  H52  1  0.814311  0.878623  0.388144  1
  H  H53  1  0.881482  0.512964  0.404811  1
  H  H54  1  0.314311  0.878623  0.388144  1
  H  H55  1  0.842703  0.935406  0.395189  1
  H  H56  1  0.342703  0.935406  0.395189  1
  H  H57  1  0.275533  0.301065  0.378522  1
  H  H58  1  0.409874  0.569747  0.411856  1
  H  H59  1  0.775533  0.301065  0.378522  1
  H  H60  1  0.909874  0.569747  0.411856  1
  H  H61  1  0.131482  0.012964  0.404811  1
  H  H62  1  0.631482  0.012964  0.404811  1
  H  H63  1  0.564311  0.378623  0.388144  1
  H  H64  1  0.698652  0.647305  0.421478  1
  H  H65  1  0.064311  0.378623  0.388144  1
  H  H66  1  0.198652  0.647305  0.421478  1
  H  H67  1  0.159874  0.069747  0.411856  1
  H  H68  1  0.659874  0.069747  0.411856  1
  H  H69  1  0.592703  0.435406  0.395189  1
  H  H70  1  0.025533  0.801065  0.378522  1
  H  H71  1  0.092703  0.435406  0.395189  1
  H  H72  1  0.525533  0.801065  0.378522  1
  H  H73  1  0.650164  0.050328  0.471478  1
  H  H74  1  0.150164  0.050328  0.471478  1
  H  H75  1  0.082993  0.415987  0.454811  1
  H  H76  1  0.515823  0.781646  0.438144  1
  H  H77  1  0.582993  0.415987  0.454811  1
  H  H78  1  0.015823  0.781646  0.438144  1
  H  H79  1  0.544215  0.838430  0.445189  1
  H  H80  1  0.044215  0.838430  0.445189  1
  H  H81  1  0.977044  0.204088  0.428522  1
  H  H82  1  0.111385  0.472771  0.461856  1
  H  H83  1  0.477044  0.204088  0.428522  1
  H  H84  1  0.611385  0.472771  0.461856  1
  H  H85  1  0.832993  0.915987  0.454811  1
  H  H86  1  0.332993  0.915987  0.454811  1
  H  H87  1  0.265823  0.281646  0.438144  1
  H  H88  1  0.400164  0.550328  0.471478  1
  H  H89  1  0.765823  0.281646  0.438144  1
  H  H90  1  0.900164  0.550328  0.471478  1
  H  H91  1  0.861385  0.972771  0.461856  1
  H  H92  1  0.361385  0.972771  0.461856  1
  H  H93  1  0.294215  0.338430  0.445189  1
  H  H94  1  0.727044  0.704088  0.428522  1
  H  H95  1  0.794215  0.338430  0.445189  1
  H  H96  1  0.227044  0.704088  0.428522  1
  H  H97  1  0.351676  0.953351  0.521478  1
  H  H98  1  0.851676  0.953351  0.521478  1
  H  H99  1  0.784505  0.319010  0.504811  1
  H  H100  1  0.217335  0.684669  0.488144  1
  H  H101  1  0.284505  0.319010  0.504811  1
  H  H102  1  0.717335  0.684669  0.488144  1
  H  H103  1  0.245726  0.741453  0.495189  1
  H  H104  1  0.745726  0.741453  0.495189  1
  H  H105  1  0.678556  0.107112  0.478522  1
  H  H106  1  0.812897  0.375794  0.511856  1
  H  H107  1  0.178556  0.107112  0.478522  1
  H  H108  1  0.312897  0.375794  0.511856  1
  H  H109  1  0.534505  0.819010  0.504811  1
  H  H110  1  0.034505  0.819010  0.504811  1
  H  H111  1  0.967335  0.184669  0.488144  1
  H  H112  1  0.101676  0.453351  0.521478  1
  H  H113  1  0.467335  0.184669  0.488144  1
  H  H114  1  0.601676  0.453351  0.521478  1
  H  H115  1  0.562897  0.875794  0.511856  1
  H  H116  1  0.062897  0.875794  0.511856  1
  H  H117  1  0.995726  0.241453  0.495189  1
  H  H118  1  0.428556  0.607112  0.478522  1
  H  H119  1  0.495726  0.241453  0.495189  1
  H  H120  1  0.928556  0.607112  0.478522  1
  H  H121  1  0.053187  0.856374  0.571478  1
  H  H122  1  0.553187  0.856374  0.571478  1
  H  H123  1  0.486017  0.222033  0.554811  1
  H  H124  1  0.918846  0.587692  0.538144  1
  H  H125  1  0.986017  0.222033  0.554811  1
  H  H126  1  0.418846  0.587692  0.538144  1
  H  H127  1  0.947238  0.644476  0.545189  1
  H  H128  1  0.447238  0.644476  0.545189  1
  H  H129  1  0.380067  0.010135  0.528522  1
  H  H130  1  0.514409  0.278817  0.561856  1
  H  H131  1  0.880067  0.010135  0.528522  1
  H  H132  1  0.014409  0.278817  0.561856  1
  H  H133  1  0.236017  0.722033  0.554811  1
  H  H134  1  0.736017  0.722033  0.554811  1
  H  H135  1  0.668846  0.087692  0.538144  1
  H  H136  1  0.803187  0.356374  0.571478  1
  H  H137  1  0.168846  0.087692  0.538144  1
  H  H138  1  0.303187  0.356374  0.571478  1
  H  H139  1  0.264409  0.778817  0.561856  1
  H  H140  1  0.764409  0.778817  0.561856  1
  H  H141  1  0.697238  0.144476  0.545189  1
  H  H142  1  0.130067  0.510135  0.528522  1
  H  H143  1  0.197238  0.144476  0.545189  1
  H  H144  1  0.630067  0.510135  0.528522  1
  H  H145  1  0.754699  0.759397  0.621478  1
  H  H146  1  0.254699  0.759397  0.621478  1
  H  H147  1  0.187528  0.125056  0.604811  1
  H  H148  1  0.620358  0.490715  0.588144  1
  H  H149  1  0.687528  0.125056  0.604811  1
  H  H150  1  0.120358  0.490715  0.588144  1
  H  H151  1  0.648750  0.547499  0.595189  1
  H  H152  1  0.148750  0.547499  0.595189  1
  H  H153  1  0.081579  0.913158  0.578522  1
  H  H154  1  0.215920  0.181840  0.611856  1
  H  H155  1  0.581579  0.913158  0.578522  1
  H  H156  1  0.715920  0.181840  0.611856  1
  H  H157  1  0.937528  0.625056  0.604811  1
  H  H158  1  0.437528  0.625056  0.604811  1
  H  H159  1  0.370358  0.990715  0.588144  1
  H  H160  1  0.504699  0.259397  0.621478  1
  H  H161  1  0.870358  0.990715  0.588144  1
  H  H162  1  0.004699  0.259397  0.621478  1
  H  H163  1  0.965920  0.681840  0.611856  1
  H  H164  1  0.465920  0.681840  0.611856  1
  H  H165  1  0.398750  0.047499  0.595189  1
  H  H166  1  0.831579  0.413158  0.578522  1
  H  H167  1  0.898750  0.047499  0.595189  1
  H  H168  1  0.331579  0.413158  0.578522  1
  H  H169  1  0.456210  0.662420  0.671478  1
  H  H170  1  0.956210  0.662420  0.671478  1
  H  H171  1  0.889040  0.028079  0.654811  1
  H  H172  1  0.321869  0.393738  0.638144  1
  H  H173  1  0.389040  0.028079  0.654811  1
  H  H174  1  0.821869  0.393738  0.638144  1
  H  H175  1  0.350261  0.450522  0.645189  1
  H  H176  1  0.850261  0.450522  0.645189  1
  H  H177  1  0.783091  0.816181  0.628522  1
  H  H178  1  0.917432  0.084863  0.661856  1
  H  H179  1  0.283091  0.816181  0.628522  1
  H  H180  1  0.417432  0.084863  0.661856  1
  H  H181  1  0.639040  0.528079  0.654811  1
  H  H182  1  0.139040  0.528079  0.654811  1
  H  H183  1  0.071869  0.893738  0.638144  1
  H  H184  1  0.206210  0.162420  0.671478  1
  H  H185  1  0.571869  0.893738  0.638144  1
  H  H186  1  0.706210  0.162420  0.671478  1
  H  H187  1  0.667432  0.584863  0.661856  1
  H  H188  1  0.167432  0.584863  0.661856  1
  H  H189  1  0.100261  0.950522  0.645189  1
  H  H190  1  0.533091  0.316181  0.628522  1
  H  H191  1  0.600261  0.950522  0.645189  1
  H  H192  1  0.033091  0.316181  0.628522  1
  H  H193  1  0.157722  0.565443  0.721478  1
  H  H194  1  0.657722  0.565443  0.721478  1
  H  H195  1  0.590551  0.931102  0.704811  1
  H  H196  1  0.023381  0.296761  0.688144  1
  H  H197  1  0.090551  0.931102  0.704811  1
  H  H198  1  0.523381  0.296761  0.688144  1
  H  H199  1  0.051773  0.353545  0.695189  1
  H  H200  1  0.551773  0.353545  0.695189  1
  H  H201  1  0.484602  0.719204  0.678522  1
  H  H202  1  0.618943  0.987886  0.711856  1
  H  H203  1  0.984602  0.719204  0.678522  1
  H  H204  1  0.118943  0.987886  0.711856  1
  H  H205  1  0.340551  0.431102  0.704811  1
  H  H206  1  0.840551  0.431102  0.704811  1
  H  H207  1  0.773381  0.796761  0.688144  1
  H  H208  1  0.907722  0.065443  0.721478  1
  H  H209  1  0.273381  0.796761  0.688144  1
  H  H210  1  0.407722  0.065443  0.721478  1
  H  H211  1  0.368943  0.487886  0.711856  1
  H  H212  1  0.868943  0.487886  0.711856  1
  H  H213  1  0.801773  0.853545  0.695189  1
  H  H214  1  0.234602  0.219204  0.678522  1
  H  H215  1  0.301773  0.853545  0.695189  1
  H  H216  1  0.734602  0.219204  0.678522  1
