# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.93043095
_cell_length_b   10.31454707
_cell_length_c   46.66557363
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.32947191
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H240
_cell_volume   4684.9830762
_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  0.008920  0.927554  0.285109  1
  H  H2  1  0.675587  0.927554  0.285109  1
  H  H3  1  0.604909  0.466647  0.274195  1
  H  H4  1  0.342253  0.927554  0.285109  1
  H  H5  1  0.271576  0.466647  0.274195  1
  H  H6  1  0.938243  0.466647  0.274195  1
  H  H7  1  0.183965  0.197209  0.278459  1
  H  H8  1  0.850632  0.197209  0.278459  1
  H  H9  1  0.780686  0.748512  0.267952  1
  H  H10  1  0.517298  0.197209  0.278459  1
  H  H11  1  0.447353  0.748512  0.267952  1
  H  H12  1  0.114020  0.748512  0.267952  1
  H  H13  1  0.806844  0.868237  0.310729  1
  H  H14  1  0.473511  0.868237  0.310729  1
  H  H15  1  0.402223  0.393681  0.297792  1
  H  H16  1  0.140177  0.868237  0.310729  1
  H  H17  1  0.068889  0.393681  0.297792  1
  H  H18  1  0.735556  0.393681  0.297792  1
  H  H19  1  0.983542  0.128315  0.301437  1
  H  H20  1  0.650209  0.128315  0.301437  1
  H  H21  1  0.574110  0.660420  0.290603  1
  H  H22  1  0.316875  0.128315  0.301437  1
  H  H23  1  0.240777  0.660420  0.290603  1
  H  H24  1  0.907443  0.660420  0.290603  1
  H  H25  1  0.610958  0.808400  0.332734  1
  H  H26  1  0.277625  0.808400  0.332734  1
  H  H27  1  0.207687  0.337592  0.321202  1
  H  H28  1  0.944292  0.808400  0.332734  1
  H  H29  1  0.874354  0.337592  0.321202  1
  H  H30  1  0.541021  0.337592  0.321202  1
  H  H31  1  0.793314  0.077008  0.325879  1
  H  H32  1  0.459981  0.077008  0.325879  1
  H  H33  1  0.386952  0.606259  0.314792  1
  H  H34  1  0.126647  0.077008  0.325879  1
  H  H35  1  0.053618  0.606259  0.314792  1
  H  H36  1  0.720285  0.606259  0.314792  1
  H  H37  1  0.417087  0.750428  0.356301  1
  H  H38  1  0.083753  0.750428  0.356301  1
  H  H39  1  0.013581  0.278219  0.344034  1
  H  H40  1  0.750420  0.750428  0.356301  1
  H  H41  1  0.680248  0.278219  0.344034  1
  H  H42  1  0.346915  0.278219  0.344034  1
  H  H43  1  0.601532  0.019451  0.349020  1
  H  H44  1  0.268199  0.019451  0.349020  1
  H  H45  1  0.194768  0.546606  0.337258  1
  H  H46  1  0.934866  0.019451  0.349020  1
  H  H47  1  0.861435  0.546606  0.337258  1
  H  H48  1  0.528102  0.546606  0.337258  1
  H  H49  1  0.223970  0.692632  0.379055  1
  H  H50  1  0.890636  0.692632  0.379055  1
  H  H51  1  0.821179  0.221929  0.367511  1
  H  H52  1  0.557303  0.692632  0.379055  1
  H  H53  1  0.487845  0.221929  0.367511  1
  H  H54  1  0.154512  0.221929  0.367511  1
  H  H55  1  0.408340  0.960933  0.371704  1
  H  H56  1  0.075006  0.960933  0.371704  1
  H  H57  1  1.003532  0.488991  0.360219  1
  H  H58  1  0.741673  0.960933  0.371704  1
  H  H59  1  0.670198  0.488991  0.360219  1
  H  H60  1  0.336865  0.488991  0.360219  1
  H  H61  1  0.031426  0.634801  0.402174  1
  H  H62  1  0.698093  0.634801  0.402174  1
  H  H63  1  0.628227  0.164276  0.390579  1
  H  H64  1  0.364760  0.634801  0.402174  1
  H  H65  1  0.294894  0.164276  0.390579  1
  H  H66  1  0.961561  0.164276  0.390579  1
  H  H67  1  0.216232  0.903742  0.394780  1
  H  H68  1  0.882899  0.903742  0.394780  1
  H  H69  1  0.811653  0.431922  0.383005  1
  H  H70  1  0.549566  0.903742  0.394780  1
  H  H71  1  0.478319  0.431922  0.383005  1
  H  H72  1  0.144986  0.431922  0.383005  1
  H  H73  1  0.839130  0.577248  0.425143  1
  H  H74  1  0.505796  0.577248  0.425143  1
  H  H75  1  0.435603  0.106279  0.413632  1
  H  H76  1  0.172463  0.577248  0.425143  1
  H  H77  1  0.102270  0.106279  0.413632  1
  H  H78  1  0.768936  0.106279  0.413632  1
  H  H79  1  0.023688  0.845857  0.417620  1
  H  H80  1  0.690355  0.845857  0.417620  1
  H  H81  1  0.619794  0.374804  0.406133  1
  H  H82  1  0.357022  0.845857  0.417620  1
  H  H83  1  0.286460  0.374804  0.406133  1
  H  H84  1  0.953127  0.374804  0.406133  1
  H  H85  1  0.646813  0.519664  0.448216  1
  H  H86  1  0.313479  0.519664  0.448216  1
  H  H87  1  0.243138  0.048642  0.436690  1
  H  H88  1  0.980146  0.519664  0.448216  1
  H  H89  1  0.909804  0.048642  0.436690  1
  H  H90  1  0.576471  0.048642  0.436690  1
  H  H91  1  0.831324  0.788310  0.440654  1
  H  H92  1  0.497990  0.788310  0.440654  1
  H  H93  1  0.427556  0.317251  0.429091  1
  H  H94  1  0.164657  0.788310  0.440654  1
  H  H95  1  0.094223  0.317251  0.429091  1
  H  H96  1  0.760890  0.317251  0.429091  1
  H  H97  1  0.454427  0.462004  0.471213  1
  H  H98  1  0.121093  0.462004  0.471213  1
  H  H99  1  0.050669  0.990845  0.459688  1
  H  H100  1  0.787760  0.462004  0.471213  1
  H  H101  1  0.717335  0.990845  0.459688  1
  H  H102  1  0.384002  0.990845  0.459688  1
  H  H103  1  0.638922  0.730686  0.463631  1
  H  H104  1  0.305588  0.730686  0.463631  1
  H  H105  1  0.235166  0.259578  0.452124  1
  H  H106  1  0.972255  0.730686  0.463631  1
  H  H107  1  0.901832  0.259578  0.452124  1
  H  H108  1  0.568499  0.259578  0.452124  1
  H  H109  1  0.262063  0.404371  0.494245  1
  H  H110  1  0.928730  0.404371  0.494245  1
  H  H111  1  0.858290  0.933210  0.482725  1
  H  H112  1  0.595397  0.404371  0.494245  1
  H  H113  1  0.524957  0.933210  0.482725  1
  H  H114  1  0.191624  0.933210  0.482725  1
  H  H115  1  0.446569  0.673091  0.486665  1
  H  H116  1  0.113236  0.673091  0.486665  1
  H  H117  1  0.042815  0.201957  0.475137  1
  H  H118  1  0.779903  0.673091  0.486665  1
  H  H119  1  0.709481  0.201957  0.475137  1
  H  H120  1  0.376148  0.201957  0.475137  1
  H  H121  1  0.069651  0.346693  0.517253  1
  H  H122  1  0.736317  0.346693  0.517253  1
  H  H123  1  0.665896  0.875560  0.505725  1
  H  H124  1  0.402984  0.346693  0.517253  1
  H  H125  1  0.332563  0.875560  0.505725  1
  H  H126  1  0.999229  0.875560  0.505725  1
  H  H127  1  0.254175  0.615440  0.509665  1
  H  H128  1  0.920842  0.615440  0.509665  1
  H  H129  1  0.850402  0.144280  0.498145  1
  H  H130  1  0.587508  0.615440  0.509665  1
  H  H131  1  0.517069  0.144280  0.498145  1
  H  H132  1  0.183735  0.144280  0.498145  1
  H  H133  1  0.877300  0.289072  0.540267  1
  H  H134  1  0.543966  0.289072  0.540267  1
  H  H135  1  0.473544  0.817965  0.528760  1
  H  H136  1  0.210633  0.289072  0.540267  1
  H  H137  1  0.140210  0.817965  0.528760  1
  H  H138  1  0.806877  0.817965  0.528760  1
  H  H139  1  0.061797  0.557806  0.532702  1
  H  H140  1  0.728463  0.557806  0.532702  1
  H  H141  1  0.658039  0.086647  0.521178  1
  H  H142  1  0.395130  0.557806  0.532702  1
  H  H143  1  0.324705  0.086647  0.521178  1
  H  H144  1  0.991372  0.086647  0.521178  1
  H  H145  1  0.684909  0.231400  0.563299  1
  H  H146  1  0.351576  0.231400  0.563299  1
  H  H147  1  0.281142  0.760341  0.551736  1
  H  H148  1  0.018242  0.231400  0.563299  1
  H  H149  1  0.947808  0.760341  0.551736  1
  H  H150  1  0.614475  0.760341  0.551736  1
  H  H151  1  0.869328  0.500009  0.555700  1
  H  H152  1  0.535994  0.500009  0.555700  1
  H  H153  1  0.465653  0.028987  0.544175  1
  H  H154  1  0.202661  0.500009  0.555700  1
  H  H155  1  0.132319  0.028987  0.544175  1
  H  H156  1  0.798986  0.028987  0.544175  1
  H  H157  1  0.492672  0.173847  0.586258  1
  H  H158  1  0.159338  0.173847  0.586258  1
  H  H159  1  0.088777  0.702794  0.574770  1
  H  H160  1  0.826005  0.173847  0.586258  1
  H  H161  1  0.755444  0.702794  0.574770  1
  H  H162  1  0.422110  0.702794  0.574770  1
  H  H163  1  0.676862  0.442372  0.578759  1
  H  H164  1  0.343529  0.442372  0.578759  1
  H  H165  1  0.273336  0.971403  0.567247  1
  H  H166  1  0.010196  0.442372  0.578759  1
  H  H167  1  0.940002  0.971403  0.567247  1
  H  H168  1  0.606669  0.971403  0.567247  1
  H  H169  1  0.300813  0.116729  0.609385  1
  H  H170  1  0.967479  0.116729  0.609385  1
  H  H171  1  0.896233  0.644909  0.597611  1
  H  H172  1  0.634146  0.116729  0.609385  1
  H  H173  1  0.562900  0.644909  0.597611  1
  H  H174  1  0.229566  0.644909  0.597611  1
  H  H175  1  0.484238  0.384374  0.601811  1
  H  H176  1  0.150905  0.384374  0.601811  1
  H  H177  1  0.081039  0.913849  0.590216  1
  H  H178  1  0.817571  0.384374  0.601811  1
  H  H179  1  0.747706  0.913849  0.590216  1
  H  H180  1  0.414372  0.913849  0.590216  1
  H  H181  1  0.108934  0.059660  0.632171  1
  H  H182  1  0.775600  0.059660  0.632171  1
  H  H183  1  0.704126  0.587717  0.620687  1
  H  H184  1  0.442267  0.059660  0.632171  1
  H  H185  1  0.370793  0.587717  0.620687  1
  H  H186  1  0.037459  0.587717  0.620687  1
  H  H187  1  0.291287  0.326721  0.624880  1
  H  H188  1  0.957953  0.326721  0.624880  1
  H  H189  1  0.888496  0.856019  0.613335  1
  H  H190  1  0.624620  0.326721  0.624880  1
  H  H191  1  0.555162  0.856019  0.613335  1
  H  H192  1  0.221829  0.856019  0.613335  1
  H  H193  1  0.917697  1.002045  0.655132  1
  H  H194  1  0.584364  1.002045  0.655132  1
  H  H195  1  0.510933  0.529199  0.643370  1
  H  H196  1  0.251030  1.002045  0.655132  1
  H  H197  1  0.177600  0.529199  0.643370  1
  H  H198  1  0.844266  0.529199  0.643370  1
  H  H199  1  0.098884  0.270431  0.648356  1
  H  H200  1  0.765551  0.270431  0.648356  1
  H  H201  1  0.695379  0.798222  0.636090  1
  H  H202  1  0.432217  0.270431  0.648356  1
  H  H203  1  0.362045  0.798222  0.636090  1
  H  H204  1  0.028712  0.798222  0.636090  1
  H  H205  1  0.725514  0.942391  0.677599  1
  H  H206  1  0.392180  0.942391  0.677599  1
  H  H207  1  0.319151  0.471643  0.666511  1
  H  H208  1  0.058847  0.942391  0.677599  1
  H  H209  1  0.985818  0.471643  0.666511  1
  H  H210  1  0.652485  0.471643  0.666511  1
  H  H211  1  0.904778  0.211059  0.671189  1
  H  H212  1  0.571445  0.211059  0.671189  1
  H  H213  1  0.501507  0.740251  0.659656  1
  H  H214  1  0.238111  0.211059  0.671189  1
  H  H215  1  0.168174  0.740251  0.659656  1
  H  H216  1  0.834840  0.740251  0.659656  1
  H  H217  1  0.538355  0.888231  0.701787  1
  H  H218  1  0.205022  0.888231  0.701787  1
  H  H219  1  0.128924  0.420336  0.690954  1
  H  H220  1  0.871689  0.888231  0.701787  1
  H  H221  1  0.795590  0.420336  0.690954  1
  H  H222  1  0.462257  0.420336  0.690954  1
  H  H223  1  0.710243  0.154970  0.694598  1
  H  H224  1  0.376909  0.154970  0.694598  1
  H  H225  1  0.305621  0.680413  0.681661  1
  H  H226  1  0.043576  0.154970  0.694598  1
  H  H227  1  0.972288  0.680413  0.681661  1
  H  H228  1  0.638955  0.680413  0.681661  1
  H  H229  1  0.331779  0.800139  0.724438  1
  H  H230  1  0.998446  0.800139  0.724438  1
  H  H231  1  0.928500  0.351442  0.713931  1
  H  H232  1  0.665112  0.800139  0.724438  1
  H  H233  1  0.595167  0.351442  0.713931  1
  H  H234  1  0.261834  0.351442  0.713931  1
  H  H235  1  0.507556  0.082003  0.718196  1
  H  H236  1  0.174223  0.082003  0.718196  1
  H  H237  1  0.103545  0.621097  0.707282  1
  H  H238  1  0.840889  0.082003  0.718196  1
  H  H239  1  0.770212  0.621097  0.707282  1
  H  H240  1  0.436879  0.621097  0.707282  1
