# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53266871
_cell_length_b   16.46754171
_cell_length_c   45.57300888
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.79708401
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H288
_cell_volume   4896.76646501
_cell_formula_units_Z   144
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  0.485310  0.479371  0.277360  1
  H  H2  1  0.357128  0.300877  0.286619  1
  H  H3  1  0.895614  0.289049  0.295878  1
  H  H4  1  0.023795  0.467544  0.286619  1
  H  H5  1  0.562280  0.955716  0.295878  1
  H  H6  1  0.690462  0.134210  0.286619  1
  H  H7  1  0.357128  0.800877  0.286619  1
  H  H8  1  0.228947  0.122383  0.295878  1
  H  H9  1  0.895614  0.789049  0.295878  1
  H  H10  1  0.023795  0.967544  0.286619  1
  H  H11  1  0.690462  0.634210  0.286619  1
  H  H12  1  0.151976  0.646038  0.277360  1
  H  H13  1  0.554554  0.458090  0.294019  1
  H  H14  1  0.426373  0.279596  0.303279  1
  H  H15  1  0.964858  0.267769  0.312538  1
  H  H16  1  0.093040  0.446263  0.303279  1
  H  H17  1  0.631525  0.934435  0.312538  1
  H  H18  1  0.759706  0.112929  0.303279  1
  H  H19  1  0.426373  0.779596  0.303279  1
  H  H20  1  0.298192  0.101102  0.312538  1
  H  H21  1  0.964858  0.767769  0.312538  1
  H  H22  1  0.093040  0.946263  0.303279  1
  H  H23  1  0.759706  0.612929  0.303279  1
  H  H24  1  0.221221  0.624757  0.294019  1
  H  H25  1  0.636484  0.432911  0.313731  1
  H  H26  1  0.508302  0.254417  0.322990  1
  H  H27  1  0.046788  0.242589  0.332249  1
  H  H28  1  0.174969  0.421084  0.322990  1
  H  H29  1  0.713454  0.909256  0.332249  1
  H  H30  1  0.841636  0.087750  0.322990  1
  H  H31  1  0.508302  0.754417  0.322990  1
  H  H32  1  0.380121  0.075923  0.332249  1
  H  H33  1  0.046788  0.742589  0.332249  1
  H  H34  1  0.174969  0.921084  0.322990  1
  H  H35  1  0.841636  0.587750  0.322990  1
  H  H36  1  0.303150  0.599578  0.313731  1
  H  H37  1  0.711611  0.409822  0.331806  1
  H  H38  1  0.583430  0.231328  0.341065  1
  H  H39  1  0.121915  0.219501  0.350324  1
  H  H40  1  0.250097  0.397995  0.341065  1
  H  H41  1  0.788582  0.886167  0.350324  1
  H  H42  1  0.916763  0.064662  0.341065  1
  H  H43  1  0.583430  0.731328  0.341065  1
  H  H44  1  0.455249  0.052834  0.350324  1
  H  H45  1  0.121915  0.719501  0.350324  1
  H  H46  1  0.250097  0.897995  0.341065  1
  H  H47  1  0.916763  0.564662  0.341065  1
  H  H48  1  0.378278  0.576489  0.331806  1
  H  H49  1  0.789541  0.385873  0.350555  1
  H  H50  1  0.661359  0.207378  0.359814  1
  H  H51  1  0.199845  0.195551  0.369074  1
  H  H52  1  0.328026  0.374045  0.359814  1
  H  H53  1  0.866511  0.862217  0.369074  1
  H  H54  1  0.994693  0.040712  0.359814  1
  H  H55  1  0.661359  0.707378  0.359814  1
  H  H56  1  0.533178  0.028884  0.369074  1
  H  H57  1  0.199845  0.695551  0.369074  1
  H  H58  1  0.328026  0.874045  0.359814  1
  H  H59  1  0.994693  0.540712  0.359814  1
  H  H60  1  0.456207  0.552539  0.350555  1
  H  H61  1  0.866120  0.362338  0.368979  1
  H  H62  1  0.737939  0.183843  0.378239  1
  H  H63  1  0.276425  0.172016  0.387498  1
  H  H64  1  0.404606  0.350510  0.378239  1
  H  H65  1  0.943091  0.838682  0.387498  1
  H  H66  1  0.071272  0.017177  0.378239  1
  H  H67  1  0.737939  0.683843  0.378239  1
  H  H68  1  0.609758  0.005349  0.387498  1
  H  H69  1  0.276425  0.672016  0.387498  1
  H  H70  1  0.404606  0.850510  0.378239  1
  H  H71  1  0.071272  0.517177  0.378239  1
  H  H72  1  0.532787  0.529004  0.368979  1
  H  H73  1  0.943313  0.338614  0.387551  1
  H  H74  1  0.815132  0.160120  0.396811  1
  H  H75  1  0.353618  0.148292  0.406070  1
  H  H76  1  0.481799  0.326786  0.396811  1
  H  H77  1  0.020284  0.814959  0.406070  1
  H  H78  1  0.148466  0.993453  0.396811  1
  H  H79  1  0.815132  0.660120  0.396811  1
  H  H80  1  0.686951  0.981625  0.406070  1
  H  H81  1  0.353618  0.648292  0.406070  1
  H  H82  1  0.481799  0.826786  0.396811  1
  H  H83  1  0.148466  0.493453  0.396811  1
  H  H84  1  0.609980  0.505281  0.387551  1
  H  H85  1  0.020219  0.314979  0.406054  1
  H  H86  1  0.892038  0.136484  0.415314  1
  H  H87  1  0.430523  0.124657  0.424573  1
  H  H88  1  0.558705  0.303151  0.415314  1
  H  H89  1  0.097190  0.791324  0.424573  1
  H  H90  1  0.225371  0.969818  0.415314  1
  H  H91  1  0.892038  0.636484  0.415314  1
  H  H92  1  0.763857  0.957990  0.424573  1
  H  H93  1  0.430523  0.624657  0.424573  1
  H  H94  1  0.558705  0.803151  0.415314  1
  H  H95  1  0.225371  0.469818  0.415314  1
  H  H96  1  0.686886  0.481645  0.406054  1
  H  H97  1  0.097258  0.291303  0.424589  1
  H  H98  1  0.969077  0.112808  0.433848  1
  H  H99  1  0.507562  0.100981  0.443108  1
  H  H100  1  0.635743  0.279475  0.433848  1
  H  H101  1  0.174229  0.767647  0.443108  1
  H  H102  1  0.302410  0.946142  0.433848  1
  H  H103  1  0.969077  0.612808  0.433848  1
  H  H104  1  0.840895  0.934314  0.443108  1
  H  H105  1  0.507562  0.600981  0.443108  1
  H  H106  1  0.635743  0.779475  0.433848  1
  H  H107  1  0.302410  0.446142  0.433848  1
  H  H108  1  0.763925  0.457969  0.424589  1
  H  H109  1  0.174235  0.267646  0.443109  1
  H  H110  1  0.046053  0.089151  0.452368  1
  H  H111  1  0.584539  0.077324  0.461628  1
  H  H112  1  0.712720  0.255818  0.452368  1
  H  H113  1  0.251205  0.743990  0.461628  1
  H  H114  1  0.379387  0.922485  0.452368  1
  H  H115  1  0.046053  0.589151  0.452368  1
  H  H116  1  0.917872  0.910657  0.461628  1
  H  H117  1  0.584539  0.577324  0.461628  1
  H  H118  1  0.712720  0.755818  0.452368  1
  H  H119  1  0.379387  0.422485  0.452368  1
  H  H120  1  0.840901  0.434312  0.443109  1
  H  H121  1  0.251240  0.243980  0.461636  1
  H  H122  1  0.123059  0.065485  0.470895  1
  H  H123  1  0.661544  0.053658  0.480155  1
  H  H124  1  0.789726  0.232152  0.470895  1
  H  H125  1  0.328211  0.720324  0.480155  1
  H  H126  1  0.456392  0.898819  0.470895  1
  H  H127  1  0.123059  0.565485  0.470895  1
  H  H128  1  0.994878  0.886991  0.480155  1
  H  H129  1  0.661544  0.553658  0.480155  1
  H  H130  1  0.789726  0.732152  0.470895  1
  H  H131  1  0.456392  0.398819  0.470895  1
  H  H132  1  0.917907  0.410646  0.461636  1
  H  H133  1  0.328232  0.220318  0.480160  1
  H  H134  1  0.200050  0.041824  0.489419  1
  H  H135  1  0.738536  0.029996  0.498678  1
  H  H136  1  0.866717  0.208490  0.489419  1
  H  H137  1  0.405202  0.696663  0.498678  1
  H  H138  1  0.533384  0.875157  0.489419  1
  H  H139  1  0.200050  0.541824  0.489419  1
  H  H140  1  0.071869  0.863330  0.498678  1
  H  H141  1  0.738536  0.529996  0.498678  1
  H  H142  1  0.866717  0.708490  0.489419  1
  H  H143  1  0.533384  0.375157  0.489419  1
  H  H144  1  0.994898  0.386985  0.480160  1
  H  H145  1  0.405232  0.196654  0.498685  1
  H  H146  1  0.277051  0.018160  0.507944  1
  H  H147  1  0.815536  0.006332  0.517204  1
  H  H148  1  0.943717  0.184826  0.507944  1
  H  H149  1  0.482203  0.672999  0.517204  1
  H  H150  1  0.610384  0.851493  0.507944  1
  H  H151  1  0.277051  0.518160  0.507944  1
  H  H152  1  0.148869  0.839665  0.517204  1
  H  H153  1  0.815536  0.506332  0.517204  1
  H  H154  1  0.943717  0.684826  0.507944  1
  H  H155  1  0.610384  0.351493  0.507944  1
  H  H156  1  0.071899  0.363320  0.498685  1
  H  H157  1  0.482223  0.172992  0.517209  1
  H  H158  1  0.354042  0.994498  0.526468  1
  H  H159  1  0.892527  0.982670  0.535727  1
  H  H160  1  0.020709  0.161165  0.526468  1
  H  H161  1  0.559194  0.649337  0.535727  1
  H  H162  1  0.687375  0.827831  0.526468  1
  H  H163  1  0.354042  0.494498  0.526468  1
  H  H164  1  0.225861  0.816004  0.535727  1
  H  H165  1  0.892527  0.482670  0.535727  1
  H  H166  1  0.020709  0.661165  0.526468  1
  H  H167  1  0.687375  0.327831  0.526468  1
  H  H168  1  0.148890  0.339659  0.517209  1
  H  H169  1  0.559229  0.149326  0.535736  1
  H  H170  1  0.431048  0.970832  0.544995  1
  H  H171  1  0.969533  0.959004  0.554254  1
  H  H172  1  0.097714  0.137499  0.544995  1
  H  H173  1  0.636200  0.625671  0.554254  1
  H  H174  1  0.764381  0.804165  0.544995  1
  H  H175  1  0.431048  0.470832  0.544995  1
  H  H176  1  0.302866  0.792338  0.554254  1
  H  H177  1  0.969533  0.459004  0.554254  1
  H  H178  1  0.097714  0.637499  0.544995  1
  H  H179  1  0.764381  0.304165  0.544995  1
  H  H180  1  0.225896  0.315993  0.535736  1
  H  H181  1  0.636206  0.125669  0.554256  1
  H  H182  1  0.508024  0.947175  0.563515  1
  H  H183  1  0.046510  0.935347  0.572774  1
  H  H184  1  0.174691  0.113842  0.563515  1
  H  H185  1  0.713176  0.602014  0.572774  1
  H  H186  1  0.841358  0.780508  0.563515  1
  H  H187  1  0.508024  0.447175  0.563515  1
  H  H188  1  0.379843  0.768681  0.572774  1
  H  H189  1  0.046510  0.435347  0.572774  1
  H  H190  1  0.174691  0.613842  0.563515  1
  H  H191  1  0.841358  0.280508  0.563515  1
  H  H192  1  0.302872  0.292336  0.554256  1
  H  H193  1  0.713244  0.101993  0.572790  1
  H  H194  1  0.585063  0.923499  0.582050  1
  H  H195  1  0.123548  0.911671  0.591309  1
  H  H196  1  0.251730  0.090166  0.582050  1
  H  H197  1  0.790215  0.578338  0.591309  1
  H  H198  1  0.918396  0.756832  0.582050  1
  H  H199  1  0.585063  0.423499  0.582050  1
  H  H200  1  0.456882  0.745005  0.591309  1
  H  H201  1  0.123548  0.411671  0.591309  1
  H  H202  1  0.251730  0.590166  0.582050  1
  H  H203  1  0.918396  0.256832  0.582050  1
  H  H204  1  0.379911  0.268660  0.572790  1
  H  H205  1  0.790150  0.078358  0.591293  1
  H  H206  1  0.661969  0.899864  0.600552  1
  H  H207  1  0.200454  0.888036  0.609812  1
  H  H208  1  0.328635  0.066530  0.600552  1
  H  H209  1  0.867121  0.554703  0.609812  1
  H  H210  1  0.995302  0.733197  0.600552  1
  H  H211  1  0.661969  0.399864  0.600552  1
  H  H212  1  0.533787  0.721369  0.609812  1
  H  H213  1  0.200454  0.388036  0.609812  1
  H  H214  1  0.328635  0.566530  0.600552  1
  H  H215  1  0.995302  0.233197  0.600552  1
  H  H216  1  0.456817  0.245025  0.591293  1
  H  H217  1  0.867343  0.054634  0.609865  1
  H  H218  1  0.739162  0.876140  0.619124  1
  H  H219  1  0.277647  0.864312  0.628384  1
  H  H220  1  0.405828  0.042807  0.619124  1
  H  H221  1  0.944314  0.530979  0.628384  1
  H  H222  1  0.072495  0.709473  0.619124  1
  H  H223  1  0.739162  0.376140  0.619124  1
  H  H224  1  0.610981  0.697646  0.628384  1
  H  H225  1  0.277647  0.364312  0.628384  1
  H  H226  1  0.405828  0.542807  0.619124  1
  H  H227  1  0.072495  0.209473  0.619124  1
  H  H228  1  0.534010  0.221301  0.609865  1
  H  H229  1  0.943923  0.031099  0.628290  1
  H  H230  1  0.815742  0.852605  0.637549  1
  H  H231  1  0.354227  0.840777  0.646808  1
  H  H232  1  0.482408  0.019272  0.637549  1
  H  H233  1  0.020894  0.507444  0.646808  1
  H  H234  1  0.149075  0.685938  0.637549  1
  H  H235  1  0.815742  0.352605  0.637549  1
  H  H236  1  0.687560  0.674111  0.646808  1
  H  H237  1  0.354227  0.340777  0.646808  1
  H  H238  1  0.482408  0.519272  0.637549  1
  H  H239  1  0.149075  0.185938  0.637549  1
  H  H240  1  0.610590  0.197766  0.628290  1
  H  H241  1  0.021852  0.007149  0.647039  1
  H  H242  1  0.893671  0.828655  0.656298  1
  H  H243  1  0.432156  0.816828  0.665557  1
  H  H244  1  0.560338  0.995322  0.656298  1
  H  H245  1  0.098823  0.483494  0.665557  1
  H  H246  1  0.227004  0.661988  0.656298  1
  H  H247  1  0.893671  0.328655  0.656298  1
  H  H248  1  0.765490  0.650161  0.665557  1
  H  H249  1  0.432156  0.316828  0.665557  1
  H  H250  1  0.560338  0.495322  0.656298  1
  H  H251  1  0.227004  0.161988  0.656298  1
  H  H252  1  0.688519  0.173816  0.647039  1
  H  H253  1  0.096980  0.984061  0.665114  1
  H  H254  1  0.968799  0.805566  0.674373  1
  H  H255  1  0.507284  0.793739  0.683632  1
  H  H256  1  0.635465  0.972233  0.674373  1
  H  H257  1  0.173951  0.460405  0.683632  1
  H  H258  1  0.302132  0.638900  0.674373  1
  H  H259  1  0.968799  0.305566  0.674373  1
  H  H260  1  0.840617  0.627072  0.683632  1
  H  H261  1  0.507284  0.293739  0.683632  1
  H  H262  1  0.635465  0.472233  0.674373  1
  H  H263  1  0.302132  0.138900  0.674373  1
  H  H264  1  0.763647  0.150727  0.665114  1
  H  H265  1  0.178909  0.958882  0.684825  1
  H  H266  1  0.050728  0.780387  0.694085  1
  H  H267  1  0.589213  0.768560  0.703344  1
  H  H268  1  0.717395  0.947054  0.694085  1
  H  H269  1  0.255880  0.435226  0.703344  1
  H  H270  1  0.384061  0.613721  0.694085  1
  H  H271  1  0.050728  0.280387  0.694085  1
  H  H272  1  0.922547  0.601893  0.703344  1
  H  H273  1  0.589213  0.268560  0.703344  1
  H  H274  1  0.717395  0.447054  0.694085  1
  H  H275  1  0.384061  0.113721  0.694085  1
  H  H276  1  0.845576  0.125548  0.684825  1
  H  H277  1  0.248154  0.937601  0.701485  1
  H  H278  1  0.119973  0.759106  0.710744  1
  H  H279  1  0.658458  0.747279  0.720004  1
  H  H280  1  0.786639  0.925773  0.710744  1
  H  H281  1  0.325125  0.413945  0.720004  1
  H  H282  1  0.453306  0.592440  0.710744  1
  H  H283  1  0.119973  0.259106  0.710744  1
  H  H284  1  0.991791  0.580612  0.720004  1
  H  H285  1  0.658458  0.247279  0.720004  1
  H  H286  1  0.786639  0.425773  0.710744  1
  H  H287  1  0.453306  0.092440  0.710744  1
  H  H288  1  0.914821  0.104267  0.701485  1
