# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.36637199
_cell_length_b   15.36526741
_cell_length_c   48.54318703
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   57.56854812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   14080.6829669
_cell_formula_units_Z   72
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  0.704124  0.088806  0.330247  1
  H  H2  1  0.037458  0.755472  0.330247  1
  H  H3  1  0.085201  0.125882  0.311728  1
  H  H4  1  0.466279  0.162958  0.293210  1
  H  H5  1  0.799612  0.829625  0.293210  1
  H  H6  1  0.132945  0.496292  0.293210  1
  H  H7  1  0.370791  0.422139  0.330247  1
  H  H8  1  0.418535  0.792549  0.311728  1
  H  H9  1  0.751868  0.459215  0.311728  1
  H  H10  1  0.672586  0.317266  0.299383  1
  H  H11  1  0.005919  0.983933  0.299383  1
  H  H12  1  0.053663  0.354342  0.280864  1
  H  H13  1  0.291509  0.280190  0.317901  1
  H  H14  1  0.624842  0.946857  0.317901  1
  H  H15  1  0.958176  0.613523  0.317901  1
  H  H16  1  0.339253  0.650599  0.299383  1
  H  H17  1  0.386997  0.021009  0.280864  1
  H  H18  1  0.720330  0.687676  0.280864  1
  H  H19  1  0.560893  0.977577  0.385802  1
  H  H20  1  0.894226  0.644243  0.385802  1
  H  H21  1  0.941970  0.014653  0.367284  1
  H  H22  1  0.323047  0.051729  0.348765  1
  H  H23  1  0.656380  0.718396  0.348765  1
  H  H24  1  0.989714  0.385063  0.348765  1
  H  H25  1  0.227559  0.310910  0.385802  1
  H  H26  1  0.275303  0.681320  0.367284  1
  H  H27  1  0.608637  0.347986  0.367284  1
  H  H28  1  0.529355  0.206037  0.354938  1
  H  H29  1  0.862688  0.872704  0.354938  1
  H  H30  1  0.910432  0.243114  0.336420  1
  H  H31  1  0.148278  0.168961  0.373457  1
  H  H32  1  0.481611  0.835628  0.373457  1
  H  H33  1  0.814944  0.502294  0.373457  1
  H  H34  1  0.196021  0.539371  0.354938  1
  H  H35  1  0.243765  0.909780  0.336420  1
  H  H36  1  0.577099  0.576447  0.336420  1
  H  H37  1  0.417661  0.866348  0.441358  1
  H  H38  1  0.750995  0.533014  0.441358  1
  H  H39  1  0.798739  0.903424  0.422840  1
  H  H40  1  0.179816  0.940500  0.404321  1
  H  H41  1  0.513149  0.607167  0.404321  1
  H  H42  1  0.846482  0.273834  0.404321  1
  H  H43  1  0.084328  0.199681  0.441358  1
  H  H44  1  0.132072  0.570091  0.422840  1
  H  H45  1  0.465405  0.236757  0.422840  1
  H  H46  1  0.386123  0.094808  0.410494  1
  H  H47  1  0.719457  0.761475  0.410494  1
  H  H48  1  0.767200  0.131885  0.391975  1
  H  H49  1  0.005046  0.057732  0.429012  1
  H  H50  1  0.338379  0.724399  0.429012  1
  H  H51  1  0.671713  0.391065  0.429012  1
  H  H52  1  0.052790  0.428142  0.410494  1
  H  H53  1  0.100534  0.798551  0.391975  1
  H  H54  1  0.433867  0.465218  0.391975  1
  H  H55  1  0.274430  0.755119  0.496914  1
  H  H56  1  0.607763  0.421785  0.496914  1
  H  H57  1  0.655507  0.792195  0.478395  1
  H  H58  1  0.036584  0.829271  0.459877  1
  H  H59  1  0.369918  0.495938  0.459877  1
  H  H60  1  0.703251  0.162605  0.459877  1
  H  H61  1  0.941097  0.088452  0.496914  1
  H  H62  1  0.988840  0.458862  0.478395  1
  H  H63  1  0.322174  0.125528  0.478395  1
  H  H64  1  0.242892  0.983579  0.466049  1
  H  H65  1  0.576225  0.650246  0.466049  1
  H  H66  1  0.623969  0.020656  0.447531  1
  H  H67  1  0.861815  0.946503  0.484568  1
  H  H68  1  0.195148  0.613170  0.484568  1
  H  H69  1  0.528481  0.279836  0.484568  1
  H  H70  1  0.909559  0.316913  0.466049  1
  H  H71  1  0.957302  0.687322  0.447531  1
  H  H72  1  0.290636  0.353989  0.447531  1
  H  H73  1  0.131198  0.643890  0.552469  1
  H  H74  1  0.464532  0.310556  0.552469  1
  H  H75  1  0.512276  0.680966  0.533951  1
  H  H76  1  0.893353  0.718042  0.515432  1
  H  H77  1  0.226686  0.384709  0.515432  1
  H  H78  1  0.560019  0.051376  0.515432  1
  H  H79  1  0.797865  0.977223  0.552469  1
  H  H80  1  0.845609  0.347633  0.533951  1
  H  H81  1  0.178942  0.014299  0.533951  1
  H  H82  1  0.099660  0.872350  0.521605  1
  H  H83  1  0.432994  0.539017  0.521605  1
  H  H84  1  0.480738  0.909427  0.503086  1
  H  H85  1  0.718583  0.835274  0.540123  1
  H  H86  1  0.051917  0.501941  0.540123  1
  H  H87  1  0.385250  0.168607  0.540123  1
  H  H88  1  0.766327  0.205684  0.521605  1
  H  H89  1  0.814071  0.576093  0.503086  1
  H  H90  1  0.147404  0.242760  0.503086  1
  H  H91  1  0.987967  0.532661  0.608025  1
  H  H92  1  0.321300  0.199328  0.608025  1
  H  H93  1  0.369044  0.569737  0.589506  1
  H  H94  1  0.750121  0.606813  0.570988  1
  H  H95  1  0.083455  0.273480  0.570988  1
  H  H96  1  0.416788  0.940147  0.570988  1
  H  H97  1  0.654634  0.865994  0.608025  1
  H  H98  1  0.702378  0.236404  0.589506  1
  H  H99  1  0.035711  0.903070  0.589506  1
  H  H100  1  0.956429  0.761121  0.577160  1
  H  H101  1  0.289762  0.427788  0.577160  1
  H  H102  1  0.337506  0.798198  0.558642  1
  H  H103  1  0.575352  0.724045  0.595679  1
  H  H104  1  0.908685  0.390712  0.595679  1
  H  H105  1  0.242018  0.057378  0.595679  1
  H  H106  1  0.623096  0.094455  0.577160  1
  H  H107  1  0.670839  0.464864  0.558642  1
  H  H108  1  0.004173  0.131531  0.558642  1
  H  H109  1  0.844736  0.421432  0.663580  1
  H  H110  1  0.178069  0.088099  0.663580  1
  H  H111  1  0.225813  0.458508  0.645062  1
  H  H112  1  0.606890  0.495585  0.626543  1
  H  H113  1  0.940223  0.162251  0.626543  1
  H  H114  1  0.273557  0.828918  0.626543  1
  H  H115  1  0.511402  0.754765  0.663580  1
  H  H116  1  0.559146  0.125175  0.645062  1
  H  H117  1  0.892479  0.791842  0.645062  1
  H  H118  1  0.813198  0.649892  0.632716  1
  H  H119  1  0.146531  0.316559  0.632716  1
  H  H120  1  0.194275  0.686969  0.614198  1
  H  H121  1  0.432120  0.612816  0.651235  1
  H  H122  1  0.765454  0.279483  0.651235  1
  H  H123  1  0.098787  0.946149  0.651235  1
  H  H124  1  0.479864  0.983226  0.632716  1
  H  H125  1  0.527608  0.353635  0.614198  1
  H  H126  1  0.860941  0.020302  0.614198  1
  H  H127  1  0.701504  0.310203  0.719136  1
  H  H128  1  0.034838  0.976870  0.719136  1
  H  H129  1  0.082581  0.347279  0.700617  1
  H  H130  1  0.463658  0.384356  0.682099  1
  H  H131  1  0.796992  0.051022  0.682099  1
  H  H132  1  0.130325  0.717689  0.682099  1
  H  H133  1  0.368171  0.643536  0.719136  1
  H  H134  1  0.415915  0.013946  0.700617  1
  H  H135  1  0.749248  0.680613  0.700617  1
  H  H136  1  0.669966  0.538663  0.688272  1
  H  H137  1  0.003299  0.205330  0.688272  1
  H  H138  1  0.051043  0.575740  0.669753  1
  H  H139  1  0.288889  0.501587  0.706790  1
  H  H140  1  0.622222  0.168254  0.706790  1
  H  H141  1  0.955556  0.834920  0.706790  1
  H  H142  1  0.336633  0.871997  0.688272  1
  H  H143  1  0.384377  0.242406  0.669753  1
  H  H144  1  0.717710  0.909073  0.669753  1
