# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.93043098
_cell_length_b   10.31454708
_cell_length_c   46.66557369
_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   4684.98309478
_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  0.008910  0.927584  0.285107  1
  H  H2  1  0.675577  0.927584  0.285107  1
  H  H3  1  0.604899  0.466676  0.274193  1
  H  H4  1  0.342244  0.927584  0.285107  1
  H  H5  1  0.271565  0.466676  0.274193  1
  H  H6  1  0.938232  0.466676  0.274193  1
  H  H7  1  0.183956  0.197238  0.278458  1
  H  H8  1  0.850623  0.197238  0.278458  1
  H  H9  1  0.780677  0.748541  0.267950  1
  H  H10  1  0.517289  0.197238  0.278458  1
  H  H11  1  0.447344  0.748541  0.267950  1
  H  H12  1  0.114010  0.748541  0.267950  1
  H  H13  1  0.806835  0.868268  0.310728  1
  H  H14  1  0.473502  0.868268  0.310728  1
  H  H15  1  0.402213  0.393711  0.297791  1
  H  H16  1  0.140168  0.868268  0.310728  1
  H  H17  1  0.068880  0.393711  0.297791  1
  H  H18  1  0.735546  0.393711  0.297791  1
  H  H19  1  0.983533  0.128346  0.301435  1
  H  H20  1  0.650200  0.128346  0.301435  1
  H  H21  1  0.574101  0.660450  0.290601  1
  H  H22  1  0.316867  0.128346  0.301435  1
  H  H23  1  0.240768  0.660450  0.290601  1
  H  H24  1  0.907435  0.660450  0.290601  1
  H  H25  1  0.610950  0.808430  0.332733  1
  H  H26  1  0.277616  0.808430  0.332733  1
  H  H27  1  0.207678  0.337622  0.321200  1
  H  H28  1  0.944283  0.808430  0.332733  1
  H  H29  1  0.874345  0.337622  0.321200  1
  H  H30  1  0.541011  0.337622  0.321200  1
  H  H31  1  0.793306  0.077039  0.325878  1
  H  H32  1  0.459972  0.077039  0.325878  1
  H  H33  1  0.386943  0.606290  0.314790  1
  H  H34  1  0.126639  0.077039  0.325878  1
  H  H35  1  0.053610  0.606290  0.314790  1
  H  H36  1  0.720277  0.606290  0.314790  1
  H  H37  1  0.417079  0.750459  0.356299  1
  H  H38  1  0.083745  0.750459  0.356299  1
  H  H39  1  0.013573  0.278250  0.344033  1
  H  H40  1  0.750412  0.750459  0.356299  1
  H  H41  1  0.680239  0.278250  0.344033  1
  H  H42  1  0.346906  0.278250  0.344033  1
  H  H43  1  0.601524  0.019482  0.349018  1
  H  H44  1  0.268191  0.019482  0.349018  1
  H  H45  1  0.194760  0.546637  0.337257  1
  H  H46  1  0.934858  0.019482  0.349018  1
  H  H47  1  0.861427  0.546637  0.337257  1
  H  H48  1  0.528094  0.546637  0.337257  1
  H  H49  1  0.223962  0.692662  0.379054  1
  H  H50  1  0.890629  0.692662  0.379054  1
  H  H51  1  0.821170  0.221959  0.367509  1
  H  H52  1  0.557295  0.692662  0.379054  1
  H  H53  1  0.487837  0.221959  0.367509  1
  H  H54  1  0.154503  0.221959  0.367509  1
  H  H55  1  0.408332  0.960964  0.371702  1
  H  H56  1  0.074998  0.960964  0.371702  1
  H  H57  1  1.003524  0.489022  0.360217  1
  H  H58  1  0.741665  0.960964  0.371702  1
  H  H59  1  0.670191  0.489022  0.360217  1
  H  H60  1  0.336857  0.489022  0.360217  1
  H  H61  1  0.031419  0.634831  0.402173  1
  H  H62  1  0.698086  0.634831  0.402173  1
  H  H63  1  0.628219  0.164306  0.390578  1
  H  H64  1  0.364752  0.634831  0.402173  1
  H  H65  1  0.294886  0.164306  0.390578  1
  H  H66  1  0.961552  0.164306  0.390578  1
  H  H67  1  0.216225  0.903773  0.394778  1
  H  H68  1  0.882892  0.903773  0.394778  1
  H  H69  1  0.811645  0.431953  0.383003  1
  H  H70  1  0.549559  0.903773  0.394778  1
  H  H71  1  0.478311  0.431953  0.383003  1
  H  H72  1  0.144978  0.431953  0.383003  1
  H  H73  1  0.839122  0.577275  0.425142  1
  H  H74  1  0.505788  0.577275  0.425142  1
  H  H75  1  0.435595  0.106307  0.413630  1
  H  H76  1  0.172455  0.577275  0.425142  1
  H  H77  1  0.102262  0.106307  0.413630  1
  H  H78  1  0.768928  0.106307  0.413630  1
  H  H79  1  0.023682  0.845889  0.417618  1
  H  H80  1  0.690349  0.845889  0.417618  1
  H  H81  1  0.619786  0.374836  0.406130  1
  H  H82  1  0.357016  0.845889  0.417618  1
  H  H83  1  0.286452  0.374836  0.406130  1
  H  H84  1  0.953119  0.374836  0.406130  1
  H  H85  1  0.646809  0.519696  0.448215  1
  H  H86  1  0.313475  0.519696  0.448215  1
  H  H87  1  0.243132  0.048670  0.436689  1
  H  H88  1  0.980142  0.519696  0.448215  1
  H  H89  1  0.909799  0.048670  0.436689  1
  H  H90  1  0.576465  0.048670  0.436689  1
  H  H91  1  0.831318  0.788341  0.440652  1
  H  H92  1  0.497984  0.788341  0.440652  1
  H  H93  1  0.427547  0.317282  0.429089  1
  H  H94  1  0.164651  0.788341  0.440652  1
  H  H95  1  0.094214  0.317282  0.429089  1
  H  H96  1  0.760880  0.317282  0.429089  1
  H  H97  1  0.454428  0.462028  0.471213  1
  H  H98  1  0.121095  0.462028  0.471213  1
  H  H99  1  0.050670  0.990876  0.459689  1
  H  H100  1  0.787761  0.462028  0.471213  1
  H  H101  1  0.717337  0.990876  0.459689  1
  H  H102  1  0.384004  0.990876  0.459689  1
  H  H103  1  0.638914  0.730724  0.463627  1
  H  H104  1  0.305581  0.730724  0.463627  1
  H  H105  1  0.235157  0.259619  0.452120  1
  H  H106  1  0.972248  0.730724  0.463627  1
  H  H107  1  0.901823  0.259619  0.452120  1
  H  H108  1  0.568490  0.259619  0.452120  1
  H  H109  1  0.262067  0.404369  0.494246  1
  H  H110  1  0.928734  0.404369  0.494246  1
  H  H111  1  0.858297  0.933224  0.482726  1
  H  H112  1  0.595401  0.404369  0.494246  1
  H  H113  1  0.524964  0.933224  0.482726  1
  H  H114  1  0.191631  0.933224  0.482726  1
  H  H115  1  0.446561  0.673114  0.486663  1
  H  H116  1  0.113228  0.673114  0.486663  1
  H  H117  1  0.042807  0.201990  0.475134  1
  H  H118  1  0.779895  0.673114  0.486663  1
  H  H119  1  0.709474  0.201990  0.475134  1
  H  H120  1  0.376140  0.201990  0.475134  1
  H  H121  1  0.069658  0.346660  0.517257  1
  H  H122  1  0.736325  0.346660  0.517257  1
  H  H123  1  0.665904  0.875536  0.505728  1
  H  H124  1  0.402992  0.346660  0.517257  1
  H  H125  1  0.332571  0.875536  0.505728  1
  H  H126  1  0.999237  0.875536  0.505728  1
  H  H127  1  0.254168  0.615427  0.509664  1
  H  H128  1  0.920835  0.615427  0.509664  1
  H  H129  1  0.850398  0.144281  0.498144  1
  H  H130  1  0.587501  0.615427  0.509664  1
  H  H131  1  0.517065  0.144281  0.498144  1
  H  H132  1  0.183731  0.144281  0.498144  1
  H  H133  1  0.877309  0.289031  0.540270  1
  H  H134  1  0.543975  0.289031  0.540270  1
  H  H135  1  0.473551  0.817927  0.528763  1
  H  H136  1  0.210642  0.289031  0.540270  1
  H  H137  1  0.140218  0.817927  0.528763  1
  H  H138  1  0.806884  0.817927  0.528763  1
  H  H139  1  0.061795  0.557775  0.532701  1
  H  H140  1  0.728462  0.557775  0.532701  1
  H  H141  1  0.658037  0.086622  0.521177  1
  H  H142  1  0.395128  0.557775  0.532701  1
  H  H143  1  0.324704  0.086622  0.521177  1
  H  H144  1  0.991371  0.086622  0.521177  1
  H  H145  1  0.684918  0.231368  0.563302  1
  H  H146  1  0.351585  0.231368  0.563302  1
  H  H147  1  0.281148  0.760310  0.551738  1
  H  H148  1  0.018252  0.231368  0.563302  1
  H  H149  1  0.947814  0.760310  0.551738  1
  H  H150  1  0.614481  0.760310  0.551738  1
  H  H151  1  0.869334  0.499980  0.555701  1
  H  H152  1  0.536000  0.499980  0.555701  1
  H  H153  1  0.465657  0.028955  0.544175  1
  H  H154  1  0.202667  0.499980  0.555701  1
  H  H155  1  0.132323  0.028955  0.544175  1
  H  H156  1  0.798990  0.028955  0.544175  1
  H  H157  1  0.492680  0.173815  0.586260  1
  H  H158  1  0.159346  0.173815  0.586260  1
  H  H159  1  0.088783  0.702762  0.574772  1
  H  H160  1  0.826013  0.173815  0.586260  1
  H  H161  1  0.755450  0.702762  0.574772  1
  H  H162  1  0.422116  0.702762  0.574772  1
  H  H163  1  0.676870  0.442343  0.578760  1
  H  H164  1  0.343537  0.442343  0.578760  1
  H  H165  1  0.273344  0.971375  0.567249  1
  H  H166  1  0.010204  0.442343  0.578760  1
  H  H167  1  0.940010  0.971375  0.567249  1
  H  H168  1  0.606677  0.971375  0.567249  1
  H  H169  1  0.300821  0.116698  0.609387  1
  H  H170  1  0.967487  0.116698  0.609387  1
  H  H171  1  0.896240  0.644878  0.597613  1
  H  H172  1  0.634154  0.116698  0.609387  1
  H  H173  1  0.562907  0.644878  0.597613  1
  H  H174  1  0.229573  0.644878  0.597613  1
  H  H175  1  0.484246  0.384345  0.601812  1
  H  H176  1  0.150913  0.384345  0.601812  1
  H  H177  1  0.081046  0.913819  0.590218  1
  H  H178  1  0.817580  0.384345  0.601812  1
  H  H179  1  0.747713  0.913819  0.590218  1
  H  H180  1  0.414380  0.913819  0.590218  1
  H  H181  1  0.108942  0.059628  0.632173  1
  H  H182  1  0.775608  0.059628  0.632173  1
  H  H183  1  0.704134  0.587686  0.620688  1
  H  H184  1  0.442275  0.059628  0.632173  1
  H  H185  1  0.370800  0.587686  0.620688  1
  H  H186  1  0.037467  0.587686  0.620688  1
  H  H187  1  0.291295  0.326691  0.624881  1
  H  H188  1  0.957962  0.326691  0.624881  1
  H  H189  1  0.888503  0.855988  0.613337  1
  H  H190  1  0.624629  0.326691  0.624881  1
  H  H191  1  0.555170  0.855988  0.613337  1
  H  H192  1  0.221837  0.855988  0.613337  1
  H  H193  1  0.917705  1.002014  0.655134  1
  H  H194  1  0.584372  1.002014  0.655134  1
  H  H195  1  0.510941  0.529168  0.643372  1
  H  H196  1  0.251038  1.002014  0.655134  1
  H  H197  1  0.177608  0.529168  0.643372  1
  H  H198  1  0.844274  0.529168  0.643372  1
  H  H199  1  0.098893  0.270401  0.648358  1
  H  H200  1  0.765560  0.270401  0.648358  1
  H  H201  1  0.695387  0.798192  0.636091  1
  H  H202  1  0.432226  0.270401  0.648358  1
  H  H203  1  0.362053  0.798192  0.636091  1
  H  H204  1  0.028720  0.798192  0.636091  1
  H  H205  1  0.725522  0.942360  0.677600  1
  H  H206  1  0.392189  0.942360  0.677600  1
  H  H207  1  0.319160  0.471612  0.666513  1
  H  H208  1  0.058856  0.942360  0.677600  1
  H  H209  1  0.985826  0.471612  0.666513  1
  H  H210  1  0.652493  0.471612  0.666513  1
  H  H211  1  0.904787  0.211029  0.671190  1
  H  H212  1  0.571454  0.211029  0.671190  1
  H  H213  1  0.501516  0.740220  0.659658  1
  H  H214  1  0.238121  0.211029  0.671190  1
  H  H215  1  0.168182  0.740220  0.659658  1
  H  H216  1  0.834849  0.740220  0.659658  1
  H  H217  1  0.538364  0.888200  0.701789  1
  H  H218  1  0.205031  0.888200  0.701789  1
  H  H219  1  0.128932  0.420305  0.690955  1
  H  H220  1  0.871697  0.888200  0.701789  1
  H  H221  1  0.795599  0.420305  0.690955  1
  H  H222  1  0.462265  0.420305  0.690955  1
  H  H223  1  0.710252  0.154939  0.694600  1
  H  H224  1  0.376919  0.154939  0.694600  1
  H  H225  1  0.305630  0.680383  0.681663  1
  H  H226  1  0.043586  0.154939  0.694600  1
  H  H227  1  0.972297  0.680383  0.681663  1
  H  H228  1  0.638964  0.680383  0.681663  1
  H  H229  1  0.331788  0.800110  0.724440  1
  H  H230  1  0.998455  0.800110  0.724440  1
  H  H231  1  0.928509  0.351412  0.713933  1
  H  H232  1  0.665122  0.800110  0.724440  1
  H  H233  1  0.595176  0.351412  0.713933  1
  H  H234  1  0.261843  0.351412  0.713933  1
  H  H235  1  0.507567  0.081975  0.718197  1
  H  H236  1  0.174233  0.081975  0.718197  1
  H  H237  1  0.103555  0.621067  0.707283  1
  H  H238  1  0.840900  0.081975  0.718197  1
  H  H239  1  0.770222  0.621067  0.707283  1
  H  H240  1  0.436889  0.621067  0.707283  1
