# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77663712
_cell_length_b   9.05932138
_cell_length_c   68.25828384
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.54475822
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   3715.50122883
_cell_formula_units_Z   90
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  0.555628  0.671375  0.142268  1
  H  H2  1  1.222295  0.671375  0.142268  1
  H  H3  1  0.888961  0.671375  0.142268  1
  H  H4  1  0.417150  0.483031  0.117310  1
  H  H5  1  1.083817  0.483031  0.117310  1
  H  H6  1  0.750483  0.483031  0.117310  1
  H  H7  1  0.899217  0.196869  0.125528  1
  H  H8  1  0.565883  0.196869  0.125528  1
  H  H9  1  0.232550  0.196869  0.125528  1
  H  H10  1  0.552008  0.922441  0.130531  1
  H  H11  1  1.218674  0.922441  0.130531  1
  H  H12  1  0.885341  0.922441  0.130531  1
  H  H13  1  0.329116  0.584366  0.171454  1
  H  H14  1  0.995782  0.584366  0.171454  1
  H  H15  1  0.662449  0.584366  0.171454  1
  H  H16  1  1.201838  0.402326  0.145978  1
  H  H17  1  0.868504  0.402326  0.145978  1
  H  H18  1  0.535171  0.402326  0.145978  1
  H  H19  1  0.687744  0.127372  0.154559  1
  H  H20  1  0.354411  0.127372  0.154559  1
  H  H21  1  1.021077  0.127372  0.154559  1
  H  H22  1  0.512100  0.858939  0.163220  1
  H  H23  1  1.178766  0.858939  0.163220  1
  H  H24  1  0.845433  0.858939  0.163220  1
  H  H25  1  1.110849  0.504753  0.200567  1
  H  H26  1  0.777515  0.504753  0.200567  1
  H  H27  1  0.444182  0.504753  0.200567  1
  H  H28  1  0.984674  0.323998  0.174624  1
  H  H29  1  0.651340  0.323998  0.174624  1
  H  H30  1  0.318007  0.323998  0.174624  1
  H  H31  1  0.469346  1.050793  0.183495  1
  H  H32  1  1.136013  1.050793  0.183495  1
  H  H33  1  0.802680  1.050793  0.183495  1
  H  H34  1  0.293459  0.777905  0.191973  1
  H  H35  1  0.960126  0.777905  0.191973  1
  H  H36  1  0.626793  0.777905  0.191973  1
  H  H37  1  0.893315  0.425449  0.229613  1
  H  H38  1  0.559981  0.425449  0.229613  1
  H  H39  1  1.226648  0.425449  0.229613  1
  H  H40  1  0.766646  0.245464  0.203562  1
  H  H41  1  0.433313  0.245464  0.203562  1
  H  H42  1  1.099980  0.245464  0.203562  1
  H  H43  1  0.251283  0.971135  0.212313  1
  H  H44  1  0.917949  0.971135  0.212313  1
  H  H45  1  0.584616  0.971135  0.212313  1
  H  H46  1  1.075528  0.698959  0.220909  1
  H  H47  1  0.742194  0.698959  0.220909  1
  H  H48  1  0.408861  0.698959  0.220909  1
  H  H49  1  0.675509  0.346134  0.258591  1
  H  H50  1  0.342176  0.346134  0.258591  1
  H  H51  1  1.008842  0.346134  0.258591  1
  H  H52  1  0.548692  0.166022  0.232478  1
  H  H53  1  1.215358  0.166022  0.232478  1
  H  H54  1  0.882025  0.166022  0.232478  1
  H  H55  1  1.033435  0.892073  0.241237  1
  H  H56  1  0.700102  0.892073  0.241237  1
  H  H57  1  0.366768  0.892073  0.241237  1
  H  H58  1  0.857716  0.619906  0.249863  1
  H  H59  1  0.524383  0.619906  0.249863  1
  H  H60  1  1.191049  0.619906  0.249863  1
  H  H61  1  0.457785  0.266941  0.287551  1
  H  H62  1  1.124451  0.266941  0.287551  1
  H  H63  1  0.791118  0.266941  0.287551  1
  H  H64  1  0.330927  0.086855  0.261421  1
  H  H65  1  0.997594  0.086855  0.261421  1
  H  H66  1  0.664261  0.086855  0.261421  1
  H  H67  1  0.815622  0.812969  0.270178  1
  H  H68  1  0.482288  0.812969  0.270178  1
  H  H69  1  1.148955  0.812969  0.270178  1
  H  H70  1  0.639897  0.540762  0.278809  1
  H  H71  1  0.306564  0.540762  0.278809  1
  H  H72  1  0.973230  0.540762  0.278809  1
  H  H73  1  0.240045  0.187774  0.316505  1
  H  H74  1  0.906712  0.187774  0.316505  1
  H  H75  1  0.573379  0.187774  0.316505  1
  H  H76  1  1.113172  1.007700  0.290369  1
  H  H77  1  0.779839  1.007700  0.290369  1
  H  H78  1  0.446506  1.007700  0.290369  1
  H  H79  1  0.597820  0.733826  0.299122  1
  H  H80  1  0.264486  0.733826  0.299122  1
  H  H81  1  0.931153  0.733826  0.299122  1
  H  H82  1  0.422113  0.461620  0.307756  1
  H  H83  1  1.088780  0.461620  0.307756  1
  H  H84  1  0.755446  0.461620  0.307756  1
  H  H85  1  1.022292  0.108615  0.345455  1
  H  H86  1  0.688959  0.108615  0.345455  1
  H  H87  1  0.355626  0.108615  0.345455  1
  H  H88  1  0.895415  0.928541  0.319317  1
  H  H89  1  0.562081  0.928541  0.319317  1
  H  H90  1  1.228748  0.928541  0.319317  1
  H  H91  1  0.380037  0.654681  0.328068  1
  H  H92  1  1.046703  0.654681  0.328068  1
  H  H93  1  0.713370  0.654681  0.328068  1
  H  H94  1  1.204337  0.382475  0.336704  1
  H  H95  1  0.871004  0.382475  0.336704  1
  H  H96  1  0.537671  0.382475  0.336704  1
  H  H97  1  0.804535  1.029456  0.374403  1
  H  H98  1  0.471201  1.029456  0.374403  1
  H  H99  1  1.137868  1.029456  0.374403  1
  H  H100  1  0.677662  0.849382  0.348267  1
  H  H101  1  0.344328  0.849382  0.348267  1
  H  H102  1  1.010995  0.849382  0.348267  1
  H  H103  1  1.162261  0.575537  0.357016  1
  H  H104  1  0.828927  0.575537  0.357016  1
  H  H105  1  0.495594  0.575537  0.357016  1
  H  H106  1  0.986554  0.303330  0.365650  1
  H  H107  1  0.653221  0.303330  0.365650  1
  H  H108  1  0.319887  0.303330  0.365650  1
  H  H109  1  0.586780  0.950302  0.403351  1
  H  H110  1  0.253446  0.950302  0.403351  1
  H  H111  1  0.920113  0.950302  0.403351  1
  H  H112  1  0.459922  0.770216  0.377221  1
  H  H113  1  1.126589  0.770216  0.377221  1
  H  H114  1  0.793256  0.770216  0.377221  1
  H  H115  1  0.944477  0.496394  0.385963  1
  H  H116  1  0.611144  0.496394  0.385963  1
  H  H117  1  0.277810  0.496394  0.385963  1
  H  H118  1  0.768752  0.224187  0.394594  1
  H  H119  1  0.435419  0.224187  0.394594  1
  H  H120  1  1.102085  0.224187  0.394594  1
  H  H121  1  0.369015  0.871134  0.432294  1
  H  H122  1  1.035682  0.871134  0.432294  1
  H  H123  1  0.702349  0.871134  0.432294  1
  H  H124  1  0.242198  0.691022  0.406182  1
  H  H125  1  0.908865  0.691022  0.406182  1
  H  H126  1  0.575532  0.691022  0.406182  1
  H  H127  1  0.726658  0.417250  0.414909  1
  H  H128  1  0.393324  0.417250  0.414909  1
  H  H129  1  1.059991  0.417250  0.414909  1
  H  H130  1  0.550939  0.145083  0.423535  1
  H  H131  1  1.217605  0.145083  0.423535  1
  H  H132  1  0.884272  0.145083  0.423535  1
  H  H133  1  1.151061  0.791692  0.461210  1
  H  H134  1  0.817727  0.791692  0.461210  1
  H  H135  1  0.484394  0.791692  0.461210  1
  H  H136  1  1.024392  0.611707  0.435159  1
  H  H137  1  0.691059  0.611707  0.435159  1
  H  H138  1  0.357726  0.611707  0.435159  1
  H  H139  1  0.508846  0.338197  0.443863  1
  H  H140  1  1.175513  0.338197  0.443863  1
  H  H141  1  0.842179  0.338197  0.443863  1
  H  H142  1  0.333091  0.066021  0.452459  1
  H  H143  1  0.999758  0.066021  0.452459  1
  H  H144  1  0.666424  0.066021  0.452459  1
  H  H145  1  0.933033  0.713158  0.490148  1
  H  H146  1  0.599700  0.713158  0.490148  1
  H  H147  1  0.266367  0.713158  0.490148  1
  H  H148  1  0.806858  0.532403  0.464205  1
  H  H149  1  0.473525  0.532403  0.464205  1
  H  H150  1  1.140192  0.532403  0.464205  1
  H  H151  1  0.290914  0.259251  0.472799  1
  H  H152  1  0.957581  0.259251  0.472799  1
  H  H153  1  0.624248  0.259251  0.472799  1
  H  H154  1  1.115028  0.986363  0.481277  1
  H  H155  1  0.781694  0.986363  0.481277  1
  H  H156  1  0.448361  0.986363  0.481277  1
  H  H157  1  0.715869  0.634831  0.518794  1
  H  H158  1  0.382536  0.634831  0.518794  1
  H  H159  1  1.049203  0.634831  0.518794  1
  H  H160  1  0.588591  0.452790  0.493318  1
  H  H161  1  0.255258  0.452790  0.493318  1
  H  H162  1  0.921925  0.452790  0.493318  1
  H  H163  1  1.072274  0.178217  0.501552  1
  H  H164  1  0.738941  0.178217  0.501552  1
  H  H165  1  0.405607  0.178217  0.501552  1
  H  H166  1  0.896630  0.909784  0.510213  1
  H  H167  1  0.563296  0.909784  0.510213  1
  H  H168  1  0.229963  0.909784  0.510213  1
  H  H169  1  0.500557  0.554125  0.547462  1
  H  H170  1  1.167224  0.554125  0.547462  1
  H  H171  1  0.833890  0.554125  0.547462  1
  H  H172  1  0.362079  0.365781  0.522504  1
  H  H173  1  1.028746  0.365781  0.522504  1
  H  H174  1  0.695412  0.365781  0.522504  1
  H  H175  1  1.032366  0.114715  0.534241  1
  H  H176  1  0.699033  0.114715  0.534241  1
  H  H177  1  0.365700  0.114715  0.534241  1
  H  H178  1  0.685157  0.840287  0.539244  1
  H  H179  1  0.351824  0.840287  0.539244  1
  H  H180  1  1.018490  0.840287  0.539244  1
