# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99065010
_cell_length_b   23.93390002
_cell_length_c   46.18624246
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.57339624
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4397.28646227
_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  0.574771  0.213553  0.270317  1
  H  H2  1  0.395985  0.553556  0.293814  1
  H  H3  1  0.728082  0.886209  0.294155  1
  H  H4  1  0.765610  0.054143  0.284710  1
  H  H5  1  0.104150  0.384377  0.284959  1
  H  H6  1  0.438252  0.716286  0.284890  1
  H  H7  1  0.917192  0.967856  0.268181  1
  H  H8  1  0.235506  0.295811  0.268208  1
  H  H9  1  0.033220  0.635482  0.291313  1
  H  H10  1  0.174435  0.131237  0.277069  1
  H  H11  1  0.517991  0.460924  0.277345  1
  H  H12  1  0.849250  0.795404  0.277417  1
  H  H13  1  0.063421  0.219240  0.296770  1
  H  H14  1  0.881490  0.558329  0.320376  1
  H  H15  1  0.216652  0.892843  0.319857  1
  H  H16  1  0.266233  0.057814  0.310423  1
  H  H17  1  0.604428  0.389596  0.310905  1
  H  H18  1  0.938735  0.723840  0.311045  1
  H  H19  1  0.403064  0.970720  0.293479  1
  H  H20  1  0.728977  0.302947  0.293596  1
  H  H21  1  0.539115  0.642551  0.317683  1
  H  H22  1  0.665716  0.139714  0.303545  1
  H  H23  1  0.006639  0.472171  0.302889  1
  H  H24  1  0.340570  0.805541  0.302854  1
  H  H25  1  0.550028  0.226405  0.321661  1
  H  H26  1  0.369619  0.564288  0.345292  1
  H  H27  1  0.704131  0.898690  0.345172  1
  H  H28  1  0.762430  0.064401  0.335793  1
  H  H29  1  0.098510  0.397096  0.335788  1
  H  H30  1  0.433194  0.730991  0.335744  1
  H  H31  1  0.889516  0.977178  0.318783  1
  H  H32  1  0.220336  0.309355  0.318936  1
  H  H33  1  0.039552  0.648776  0.342756  1
  H  H34  1  0.158665  0.144355  0.328461  1
  H  H35  1  0.493479  0.477033  0.328048  1
  H  H36  1  0.829418  0.811508  0.328179  1
  H  H37  1  0.037076  0.231688  0.346430  1
  H  H38  1  0.858506  0.570877  0.370342  1
  H  H39  1  0.193371  0.904598  0.370243  1
  H  H40  1  0.255830  0.069995  0.360930  1
  H  H41  1  0.590087  0.402958  0.360927  1
  H  H42  1  0.924186  0.736613  0.360799  1
  H  H43  1  0.380741  0.982891  0.343474  1
  H  H44  1  0.714069  0.315667  0.343795  1
  H  H45  1  0.533987  0.655047  0.367845  1
  H  H46  1  0.648227  0.150523  0.353523  1
  H  H47  1  0.981943  0.483277  0.353064  1
  H  H48  1  0.317470  0.817395  0.352948  1
  H  H49  1  0.526054  0.237902  0.371261  1
  H  H50  1  0.348319  0.577179  0.395290  1
  H  H51  1  0.683442  0.910559  0.395462  1
  H  H52  1  0.747479  0.075953  0.386107  1
  H  H53  1  0.081325  0.409104  0.386026  1
  H  H54  1  0.414406  0.742531  0.385722  1
  H  H55  1  0.871134  0.988754  0.368505  1
  H  H56  1  0.204944  0.321836  0.368768  1
  H  H57  1  0.026272  0.661046  0.393021  1
  H  H58  1  0.138531  0.156283  0.378469  1
  H  H59  1  0.471879  0.489457  0.377996  1
  H  H60  1  0.806354  0.823146  0.377944  1
  H  H61  1  0.016339  0.243895  0.396225  1
  H  H62  1  0.838427  0.583189  0.420419  1
  H  H63  1  0.173564  0.916528  0.420591  1
  H  H64  1  0.238715  0.081913  0.411229  1
  H  H65  1  0.572376  0.415219  0.411138  1
  H  H66  1  0.904900  0.748531  0.410805  1
  H  H67  1  0.361828  0.994575  0.393543  1
  H  H68  1  0.695716  0.327805  0.393834  1
  H  H69  1  0.517722  0.667109  0.418148  1
  H  H70  1  0.629111  0.162383  0.403524  1
  H  H71  1  0.962231  0.495675  0.403071  1
  H  H72  1  0.296366  0.829136  0.402987  1
  H  H73  1  0.506789  0.249877  0.421229  1
  H  H74  1  0.328903  0.589209  0.445492  1
  H  H75  1  0.663722  0.922512  0.445702  1
  H  H76  1  0.729567  0.087929  0.436329  1
  H  H77  1  0.063214  0.421253  0.436228  1
  H  H78  1  0.395565  0.754558  0.435854  1
  H  H79  1  0.852536  1.000552  0.418640  1
  H  H80  1  0.186547  0.333830  0.418887  1
  H  H81  1  0.008719  0.673125  0.443269  1
  H  H82  1  0.119840  0.168403  0.428566  1
  H  H83  1  0.452606  0.501782  0.428119  1
  H  H84  1  0.786630  0.835108  0.428064  1
  H  H85  1  0.997320  0.255890  0.446247  1
  H  H86  1  0.819491  0.595208  0.470592  1
  H  H87  1  0.154047  0.928507  0.470796  1
  H  H88  1  0.220255  0.093938  0.461415  1
  H  H89  1  0.553874  0.427275  0.461316  1
  H  H90  1  0.886208  0.760566  0.460940  1
  H  H91  1  0.343220  1.006532  0.443722  1
  H  H92  1  0.677288  0.339847  0.443956  1
  H  H93  1  0.499515  0.679140  0.468361  1
  H  H94  1  0.610548  0.174419  0.453634  1
  H  H95  1  0.943081  0.507775  0.453213  1
  H  H96  1  0.276968  0.841086  0.453136  1
  H  H97  1  0.487933  0.261896  0.471286  1
  H  H98  1  0.310151  0.601206  0.495676  1
  H  H99  1  0.644487  0.934513  0.495887  1
  H  H100  1  0.710870  0.099951  0.486497  1
  H  H101  1  0.044525  0.433267  0.486403  1
  H  H102  1  0.376881  0.766582  0.486012  1
  H  H103  1  0.833807  1.012533  0.468812  1
  H  H104  1  0.167999  0.345846  0.469028  1
  H  H105  1  0.990221  0.685147  0.493440  1
  H  H106  1  0.101256  0.180446  0.478698  1
  H  H107  1  0.433665  0.513786  0.478294  1
  H  H108  1  0.767407  0.847087  0.478212  1
  H  H109  1  0.978595  0.267904  0.496346  1
  H  H110  1  0.800817  0.607205  0.520758  1
  H  H111  1  0.135010  0.940518  0.520974  1
  H  H112  1  0.201409  0.105964  0.511574  1
  H  H113  1  0.535151  0.439265  0.511493  1
  H  H114  1  0.867560  0.772604  0.511088  1
  H  H115  1  0.324329  1.018538  0.493899  1
  H  H116  1  0.658665  0.351845  0.494110  1
  H  H117  1  0.480883  0.691155  0.518500  1
  H  H118  1  0.591935  0.186469  0.503774  1
  H  H119  1  0.924291  0.519784  0.503383  1
  H  H120  1  0.257946  0.853100  0.503289  1
  H  H121  1  0.469301  0.273911  0.521426  1
  H  H122  1  0.291528  0.613204  0.545830  1
  H  H123  1  0.625596  0.946519  0.546064  1
  H  H124  1  0.691848  0.111965  0.536650  1
  H  H125  1  0.025735  0.445276  0.536573  1
  H  H126  1  0.358269  0.778632  0.536152  1
  H  H127  1  0.814770  0.024544  0.518990  1
  H  H128  1  0.149325  0.357843  0.519194  1
  H  H129  1  0.971496  0.697161  0.543540  1
  H  H130  1  0.082609  0.192484  0.528846  1
  H  H131  1  0.414942  0.525776  0.528470  1
  H  H132  1  0.748561  0.859113  0.528371  1
  H  H133  1  0.960097  0.279926  0.546517  1
  H  H134  1  0.782269  0.619221  0.570899  1
  H  H135  1  0.116281  0.952499  0.571146  1
  H  H136  1  0.182186  0.117943  0.561722  1
  H  H137  1  0.516211  0.451269  0.561667  1
  H  H138  1  0.848976  0.784648  0.561220  1
  H  H139  1  0.305094  0.030538  0.544084  1
  H  H140  1  0.639913  0.363842  0.544294  1
  H  H141  1  0.462027  0.703174  0.568558  1
  H  H142  1  0.573251  0.198493  0.553932  1
  H  H143  1  0.905602  0.531798  0.553558  1
  H  H144  1  0.239249  0.865122  0.553458  1
  H  H145  1  0.451094  0.285942  0.571638  1
  H  H146  1  0.273100  0.625246  0.595952  1
  H  H147  1  0.606988  0.958476  0.596243  1
  H  H148  1  0.672450  0.123915  0.586799  1
  H  H149  1  0.006586  0.457376  0.586715  1
  H  H150  1  0.339706  0.790668  0.586262  1
  H  H151  1  0.795252  0.036523  0.569195  1
  H  H152  1  0.130389  0.369862  0.569367  1
  H  H153  1  0.952477  0.709155  0.593561  1
  H  H154  1  0.063917  0.204520  0.578981  1
  H  H155  1  0.396440  0.537832  0.578648  1
  H  H156  1  0.730101  0.871138  0.578557  1
  H  H157  1  0.942545  0.292005  0.596765  1
  H  H158  1  0.763872  0.631215  0.621018  1
  H  H159  1  0.097682  0.964297  0.621281  1
  H  H160  1  0.162463  0.129905  0.611842  1
  H  H161  1  0.496938  0.463594  0.611790  1
  H  H162  1  0.830285  0.796768  0.611317  1
  H  H163  1  0.285375  0.042492  0.594324  1
  H  H164  1  0.620497  0.375872  0.594496  1
  H  H165  1  0.442762  0.715149  0.618525  1
  H  H166  1  0.554410  0.210520  0.604064  1
  H  H167  1  0.887491  0.543947  0.603760  1
  H  H168  1  0.221337  0.877098  0.603679  1
  H  H169  1  0.434830  0.298004  0.621941  1
  H  H170  1  0.254747  0.637384  0.645991  1
  H  H171  1  0.588075  0.970160  0.646312  1
  H  H172  1  0.651346  0.135656  0.636838  1
  H  H173  1  0.986873  0.469774  0.636722  1
  H  H174  1  0.320590  0.802528  0.636263  1
  H  H175  1  0.775445  0.048453  0.619543  1
  H  H176  1  0.110310  0.382174  0.619444  1
  H  H177  1  0.931740  0.721363  0.643357  1
  H  H178  1  0.044630  0.216438  0.628987  1
  H  H179  1  0.378730  0.550093  0.628859  1
  H  H180  1  0.712986  0.883056  0.628856  1
  H  H181  1  0.929264  0.304275  0.647030  1
  H  H182  1  0.748480  0.643696  0.670850  1
  H  H183  1  0.079300  0.975873  0.671003  1
  H  H184  1  0.139398  0.141543  0.661607  1
  H  H185  1  0.475337  0.476018  0.661738  1
  H  H186  1  0.810151  0.808696  0.661326  1
  H  H187  1  0.264686  0.054361  0.644614  1
  H  H188  1  0.599197  0.388762  0.644494  1
  H  H189  1  0.418788  0.726646  0.668125  1
  H  H190  1  0.535623  0.222060  0.654042  1
  H  H191  1  0.870306  0.555955  0.653998  1
  H  H192  1  0.206387  0.888649  0.653993  1
  H  H193  1  0.429701  0.310499  0.672103  1
  H  H194  1  0.239840  0.650104  0.696190  1
  H  H195  1  0.565752  0.982330  0.696307  1
  H  H196  1  0.628246  0.147510  0.686932  1
  H  H197  1  0.962177  0.480880  0.686897  1
  H  H198  1  0.303100  0.813337  0.686241  1
  H  H199  1  0.752164  0.060208  0.669929  1
  H  H200  1  0.087326  0.394721  0.669411  1
  H  H201  1  0.905396  0.733810  0.693016  1
  H  H202  1  0.030081  0.229211  0.678741  1
  H  H203  1  0.364388  0.563455  0.678881  1
  H  H204  1  0.702583  0.895237  0.679363  1
  H  H205  1  0.935596  0.317569  0.698473  1
  H  H206  1  0.733310  0.657240  0.721578  1
  H  H207  1  0.051624  0.985195  0.721605  1
  H  H208  1  0.119566  0.157647  0.712369  1
  H  H209  1  0.450826  0.492126  0.712441  1
  H  H210  1  0.794381  0.821814  0.712717  1
  H  H211  1  0.240734  0.066842  0.695632  1
  H  H212  1  0.572831  0.399494  0.695972  1
  H  H213  1  0.394046  0.739498  0.719469  1
  H  H214  1  0.530564  0.236765  0.704896  1
  H  H215  1  0.864666  0.568673  0.704828  1
  H  H216  1  0.203206  0.898908  0.705076  1
