# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80772355
_cell_length_b   8.65017809
_cell_length_c   46.06712535
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.70393857
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   3060.88894408
_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  0.163966  0.917145  0.290215  1
  H  H2  1  0.817790  0.923544  0.297623  1
  H  H3  1  0.163966  0.583812  0.290215  1
  H  H4  1  0.510143  0.910747  0.282808  1
  H  H5  1  0.817790  0.590211  0.297623  1
  H  H6  1  0.163966  0.250479  0.290215  1
  H  H7  1  0.510143  0.577413  0.282808  1
  H  H8  1  0.817790  0.256878  0.297623  1
  H  H9  1  0.510143  0.244080  0.282808  1
  H  H10  1  0.129300  0.934418  0.310210  1
  H  H11  1  0.783124  0.940817  0.317618  1
  H  H12  1  0.129300  0.601085  0.310210  1
  H  H13  1  0.475476  0.928019  0.302803  1
  H  H14  1  0.783124  0.607484  0.317618  1
  H  H15  1  0.129300  0.267751  0.310210  1
  H  H16  1  0.475476  0.594686  0.302803  1
  H  H17  1  0.783124  0.274150  0.317618  1
  H  H18  1  0.475476  0.261352  0.302803  1
  H  H19  1  0.088283  0.954855  0.333868  1
  H  H20  1  0.742106  0.961254  0.341275  1
  H  H21  1  0.088283  0.621521  0.333868  1
  H  H22  1  0.434459  0.948456  0.326460  1
  H  H23  1  0.742106  0.627920  0.341275  1
  H  H24  1  0.088283  0.288188  0.333868  1
  H  H25  1  0.434459  0.615122  0.326460  1
  H  H26  1  0.742106  0.294587  0.341275  1
  H  H27  1  0.434459  0.281789  0.326460  1
  H  H28  1  0.050670  0.973595  0.355561  1
  H  H29  1  0.704494  0.979994  0.362969  1
  H  H30  1  0.050670  0.640261  0.355561  1
  H  H31  1  0.396847  0.967196  0.348154  1
  H  H32  1  0.704494  0.646660  0.362969  1
  H  H33  1  0.050670  0.306928  0.355561  1
  H  H34  1  0.396847  0.633862  0.348154  1
  H  H35  1  0.704494  0.313327  0.362969  1
  H  H36  1  0.396847  0.300529  0.348154  1
  H  H37  1  0.011656  0.993034  0.378064  1
  H  H38  1  0.665480  0.999432  0.385471  1
  H  H39  1  0.011656  0.659700  0.378064  1
  H  H40  1  0.357832  0.986635  0.370657  1
  H  H41  1  0.665480  0.666099  0.385471  1
  H  H42  1  0.011656  0.326367  0.378064  1
  H  H43  1  0.357832  0.653301  0.370657  1
  H  H44  1  0.665480  0.332766  0.385471  1
  H  H45  1  0.357832  0.319968  0.370657  1
  H  H46  1  0.973317  0.012136  0.400177  1
  H  H47  1  0.627141  0.018535  0.407584  1
  H  H48  1  0.973317  0.678802  0.400177  1
  H  H49  1  0.319493  0.005737  0.392769  1
  H  H50  1  0.627141  0.685201  0.407584  1
  H  H51  1  0.973317  0.345469  0.400177  1
  H  H52  1  0.319493  0.672403  0.392769  1
  H  H53  1  0.627141  0.351868  0.407584  1
  H  H54  1  0.319493  0.339070  0.392769  1
  H  H55  1  0.934671  0.031391  0.422467  1
  H  H56  1  0.588494  0.037790  0.429874  1
  H  H57  1  0.934671  0.698058  0.422467  1
  H  H58  1  0.280847  0.024992  0.415059  1
  H  H59  1  0.588494  0.704457  0.429874  1
  H  H60  1  0.934671  0.364724  0.422467  1
  H  H61  1  0.280847  0.691659  0.415059  1
  H  H62  1  0.588494  0.371123  0.429874  1
  H  H63  1  0.280847  0.358325  0.415059  1
  H  H64  1  0.896169  0.050574  0.444674  1
  H  H65  1  0.549993  0.056973  0.452081  1
  H  H66  1  0.896169  0.717241  0.444674  1
  H  H67  1  0.242345  0.044175  0.437266  1
  H  H68  1  0.549993  0.723640  0.452081  1
  H  H69  1  0.896169  0.383908  0.444674  1
  H  H70  1  0.242345  0.710842  0.437266  1
  H  H71  1  0.549993  0.390307  0.452081  1
  H  H72  1  0.242345  0.377509  0.437266  1
  H  H73  1  0.857599  0.069791  0.466919  1
  H  H74  1  0.511423  0.076190  0.474327  1
  H  H75  1  0.857599  0.736458  0.466919  1
  H  H76  1  0.203775  0.063393  0.459512  1
  H  H77  1  0.511423  0.742857  0.474327  1
  H  H78  1  0.857599  0.403125  0.466919  1
  H  H79  1  0.203775  0.730059  0.459512  1
  H  H80  1  0.511423  0.409524  0.474327  1
  H  H81  1  0.203775  0.396726  0.459512  1
  H  H82  1  0.819063  0.088992  0.489146  1
  H  H83  1  0.472887  0.095391  0.496553  1
  H  H84  1  0.819063  0.755658  0.489146  1
  H  H85  1  0.165240  0.082593  0.481738  1
  H  H86  1  0.472887  0.762057  0.496553  1
  H  H87  1  0.819063  0.422325  0.489146  1
  H  H88  1  0.165240  0.749259  0.481738  1
  H  H89  1  0.472887  0.428724  0.496553  1
  H  H90  1  0.165240  0.415926  0.481738  1
  H  H91  1  0.780507  0.108202  0.511384  1
  H  H92  1  0.434331  0.114601  0.518792  1
  H  H93  1  0.780507  0.774869  0.511384  1
  H  H94  1  0.126683  0.101803  0.503977  1
  H  H95  1  0.434331  0.781268  0.518792  1
  H  H96  1  0.780507  0.441536  0.511384  1
  H  H97  1  0.126683  0.768470  0.503977  1
  H  H98  1  0.434331  0.447935  0.518792  1
  H  H99  1  0.126683  0.435137  0.503977  1
  H  H100  1  0.741971  0.127403  0.533610  1
  H  H101  1  0.395795  0.133801  0.541018  1
  H  H102  1  0.741971  0.794069  0.533610  1
  H  H103  1  0.088147  0.121004  0.526203  1
  H  H104  1  0.395795  0.800468  0.541018  1
  H  H105  1  0.741971  0.460736  0.533610  1
  H  H106  1  0.088147  0.787670  0.526203  1
  H  H107  1  0.395795  0.467135  0.541018  1
  H  H108  1  0.088147  0.454337  0.526203  1
  H  H109  1  0.703401  0.146620  0.555856  1
  H  H110  1  0.357225  0.153019  0.563264  1
  H  H111  1  0.703401  0.813286  0.555856  1
  H  H112  1  0.049578  0.140221  0.548449  1
  H  H113  1  0.357225  0.819685  0.563264  1
  H  H114  1  0.703401  0.479953  0.555856  1
  H  H115  1  0.049578  0.806887  0.548449  1
  H  H116  1  0.357225  0.486352  0.563264  1
  H  H117  1  0.049578  0.473554  0.548449  1
  H  H118  1  0.664900  0.165803  0.578063  1
  H  H119  1  0.318723  0.172202  0.585470  1
  H  H120  1  0.664900  0.832470  0.578063  1
  H  H121  1  0.011076  0.159404  0.570656  1
  H  H122  1  0.318723  0.838869  0.585470  1
  H  H123  1  0.664900  0.499136  0.578063  1
  H  H124  1  0.011076  0.826071  0.570656  1
  H  H125  1  0.318723  0.505535  0.585470  1
  H  H126  1  0.011076  0.492737  0.570656  1
  H  H127  1  0.626253  0.185058  0.600353  1
  H  H128  1  0.280077  0.191457  0.607761  1
  H  H129  1  0.626253  0.851725  0.600353  1
  H  H130  1  0.972430  0.178659  0.592946  1
  H  H131  1  0.280077  0.858124  0.607761  1
  H  H132  1  0.626253  0.518392  0.600353  1
  H  H133  1  0.972430  0.845326  0.592946  1
  H  H134  1  0.280077  0.524790  0.607761  1
  H  H135  1  0.972430  0.511993  0.592946  1
  H  H136  1  0.587914  0.204160  0.622466  1
  H  H137  1  0.241738  0.210559  0.629873  1
  H  H138  1  0.587914  0.870827  0.622466  1
  H  H139  1  0.934091  0.197762  0.615059  1
  H  H140  1  0.241738  0.877226  0.629873  1
  H  H141  1  0.587914  0.537494  0.622466  1
  H  H142  1  0.934091  0.864428  0.615059  1
  H  H143  1  0.241738  0.543893  0.629873  1
  H  H144  1  0.934091  0.531095  0.615059  1
  H  H145  1  0.548900  0.223599  0.644968  1
  H  H146  1  0.202724  0.229998  0.652376  1
  H  H147  1  0.548900  0.890266  0.644968  1
  H  H148  1  0.895076  0.217200  0.637561  1
  H  H149  1  0.202724  0.896665  0.652376  1
  H  H150  1  0.548900  0.556933  0.644968  1
  H  H151  1  0.895076  0.883867  0.637561  1
  H  H152  1  0.202724  0.563332  0.652376  1
  H  H153  1  0.895076  0.550534  0.637561  1
  H  H154  1  0.511288  0.242339  0.666662  1
  H  H155  1  0.165111  0.248738  0.674069  1
  H  H156  1  0.511288  0.909006  0.666662  1
  H  H157  1  0.857464  0.235940  0.659255  1
  H  H158  1  0.165111  0.915405  0.674069  1
  H  H159  1  0.511288  0.575673  0.666662  1
  H  H160  1  0.857464  0.902607  0.659255  1
  H  H161  1  0.165111  0.582072  0.674069  1
  H  H162  1  0.857464  0.569274  0.659255  1
  H  H163  1  0.470271  0.262776  0.690320  1
  H  H164  1  0.124094  0.269175  0.697727  1
  H  H165  1  0.470271  0.929443  0.690320  1
  H  H166  1  0.816447  0.256377  0.682912  1
  H  H167  1  0.124094  0.935841  0.697727  1
  H  H168  1  0.470271  0.596109  0.690320  1
  H  H169  1  0.816447  0.923044  0.682912  1
  H  H170  1  0.124094  0.602508  0.697727  1
  H  H171  1  0.816447  0.589710  0.682912  1
  H  H172  1  0.435604  0.280048  0.710314  1
  H  H173  1  0.089428  0.286447  0.717722  1
  H  H174  1  0.435604  0.946715  0.710314  1
  H  H175  1  0.781780  0.273650  0.702907  1
  H  H176  1  0.089428  0.953114  0.717722  1
  H  H177  1  0.435604  0.613382  0.710314  1
  H  H178  1  0.781780  0.940316  0.702907  1
  H  H179  1  0.089428  0.619781  0.717722  1
  H  H180  1  0.781780  0.606983  0.702907  1
