# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01595110
_cell_length_b   5.97416844
_cell_length_c   82.48188523
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.10728238
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   2942.99905971
_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  0.230802  1.092128  0.063114  1
  H  H2  1  0.972170  1.016925  0.082774  1
  H  H3  1  0.897468  0.758795  0.063114  1
  H  H4  1  0.608028  1.047382  0.072239  1
  H  H5  1  0.638836  0.683592  0.082774  1
  H  H6  1  0.564135  0.425462  0.063114  1
  H  H7  1  0.274695  0.714049  0.072239  1
  H  H8  1  0.305503  0.350258  0.082774  1
  H  H9  1  0.941361  0.380716  0.072239  1
  H  H10  1  0.339870  0.982401  0.091649  1
  H  H11  1  1.071646  0.917471  0.110589  1
  H  H12  1  1.006537  0.649068  0.091649  1
  H  H13  1  0.704227  0.951541  0.101289  1
  H  H14  1  0.738313  0.584138  0.110589  1
  H  H15  1  0.673204  0.315735  0.091649  1
  H  H16  1  0.370894  0.618208  0.101289  1
  H  H17  1  0.404980  0.250804  0.110589  1
  H  H18  1  1.037561  0.284874  0.101289  1
  H  H19  1  0.437381  0.885143  0.120063  1
  H  H20  1  0.170061  0.819228  0.138924  1
  H  H21  1  1.104048  0.551810  0.120063  1
  H  H22  1  0.803890  0.852010  0.129466  1
  H  H23  1  0.836727  0.485895  0.138924  1
  H  H24  1  0.770715  0.218477  0.120063  1
  H  H25  1  0.470557  0.518677  0.129466  1
  H  H26  1  0.503394  1.152562  0.138924  1
  H  H27  1  1.137223  0.185343  0.129466  1
  H  H28  1  0.536411  0.786258  0.148352  1
  H  H29  1  0.268954  0.720482  0.167234  1
  H  H30  1  0.203078  0.452925  0.148352  1
  H  H31  1  0.902649  0.753405  0.157798  1
  H  H32  1  0.935621  0.387149  0.167234  1
  H  H33  1  0.869744  1.119592  0.148352  1
  H  H34  1  0.569316  0.420071  0.157798  1
  H  H35  1  0.602287  1.053816  0.167234  1
  H  H36  1  0.235983  1.086738  0.157798  1
  H  H37  1  0.635222  0.687597  0.176675  1
  H  H38  1  0.367787  0.621799  0.195554  1
  H  H39  1  0.301889  0.354264  0.176675  1
  H  H40  1  1.001510  0.654693  0.186114  1
  H  H41  1  1.034454  0.288466  0.195554  1
  H  H42  1  0.968556  1.020931  0.176675  1
  H  H43  1  0.668176  0.321360  0.186114  1
  H  H44  1  0.701120  0.955132  0.195554  1
  H  H45  1  0.334843  0.988027  0.186114  1
  H  H46  1  0.734070  0.588900  0.204993  1
  H  H47  1  0.466631  0.523105  0.223871  1
  H  H48  1  0.400736  0.255566  0.204993  1
  H  H49  1  1.100349  0.556003  0.214432  1
  H  H50  1  1.133297  0.189771  0.223871  1
  H  H51  1  1.067403  0.922233  0.204993  1
  H  H52  1  0.767016  0.222670  0.214432  1
  H  H53  1  0.799964  0.856438  0.223871  1
  H  H54  1  0.433683  0.889336  0.214432  1
  H  H55  1  0.832911  0.490208  0.233311  1
  H  H56  1  0.565473  0.424412  0.252190  1
  H  H57  1  0.499578  1.156874  0.233311  1
  H  H58  1  0.199192  0.457310  0.242750  1
  H  H59  1  0.232140  1.091079  0.252190  1
  H  H60  1  0.166245  0.823541  0.233311  1
  H  H61  1  0.865859  1.123976  0.242750  1
  H  H62  1  0.898806  0.757746  0.252190  1
  H  H63  1  0.532525  0.790643  0.242750  1
  H  H64  1  0.931754  0.391515  0.261629  1
  H  H65  1  0.664315  0.325719  0.280508  1
  H  H66  1  0.598420  1.058181  0.261629  1
  H  H67  1  0.298034  0.358617  0.271068  1
  H  H68  1  0.330982  0.992386  0.280508  1
  H  H69  1  0.265087  0.724848  0.261629  1
  H  H70  1  0.964701  1.025284  0.271068  1
  H  H71  1  0.997649  0.659053  0.280508  1
  H  H72  1  0.631368  0.691950  0.271068  1
  H  H73  1  1.030596  0.292822  0.289947  1
  H  H74  1  0.763158  0.227027  0.308826  1
  H  H75  1  0.697263  0.959488  0.289947  1
  H  H76  1  0.396877  0.259924  0.299386  1
  H  H77  1  0.429824  0.893693  0.308826  1
  H  H78  1  0.363929  0.626155  0.289947  1
  H  H79  1  1.063544  0.926591  0.299386  1
  H  H80  1  1.096491  0.560360  0.308826  1
  H  H81  1  0.730210  0.593257  0.299386  1
  H  H82  1  1.129438  0.194129  0.318265  1
  H  H83  1  0.862000  1.128334  0.337144  1
  H  H84  1  0.796105  0.860796  0.318265  1
  H  H85  1  0.495719  1.161231  0.327704  1
  H  H86  1  0.528667  0.795000  0.337144  1
  H  H87  1  0.462772  0.527462  0.318265  1
  H  H88  1  0.162386  0.827898  0.327704  1
  H  H89  1  0.195333  0.461667  0.337144  1
  H  H90  1  0.829053  0.494565  0.327704  1
  H  H91  1  0.228281  1.095436  0.346583  1
  H  H92  1  0.960842  1.029641  0.365462  1
  H  H93  1  0.894947  0.762103  0.346583  1
  H  H94  1  0.594562  1.062538  0.356022  1
  H  H95  1  0.627508  0.696308  0.365462  1
  H  H96  1  0.561614  0.428770  0.346583  1
  H  H97  1  0.261229  0.729205  0.356022  1
  H  H98  1  0.294175  0.362975  0.365462  1
  H  H99  1  0.927895  0.395871  0.356022  1
  H  H100  1  0.327124  0.996742  0.374901  1
  H  H101  1  1.059689  0.930944  0.393779  1
  H  H102  1  0.993791  0.663409  0.374901  1
  H  H103  1  0.693402  0.963848  0.384341  1
  H  H104  1  0.726356  0.597610  0.393779  1
  H  H105  1  0.660458  0.330075  0.374901  1
  H  H106  1  0.360068  0.630514  0.384341  1
  H  H107  1  0.393022  0.264277  0.393779  1
  H  H108  1  1.026735  0.297181  0.384341  1
  H  H109  1  0.425957  0.898059  0.403220  1
  H  H110  1  0.158500  0.832283  0.422102  1
  H  H111  1  1.092624  0.564725  0.403220  1
  H  H112  1  0.792262  0.865136  0.412657  1
  H  H113  1  0.825167  0.498949  0.422102  1
  H  H114  1  0.759291  0.231392  0.403220  1
  H  H115  1  0.458929  0.531803  0.412657  1
  H  H116  1  0.491834  1.165616  0.422102  1
  H  H117  1  1.125595  0.198470  0.412657  1
  H  H118  1  0.524851  0.799313  0.431530  1
  H  H119  1  0.257530  0.733398  0.450392  1
  H  H120  1  0.191517  0.465979  0.431530  1
  H  H121  1  0.891021  0.766531  0.440989  1
  H  H122  1  0.924197  0.400064  0.450392  1
  H  H123  1  0.858184  1.132646  0.431530  1
  H  H124  1  0.557688  0.433198  0.440989  1
  H  H125  1  0.590863  1.066731  0.450392  1
  H  H126  1  0.224355  1.099864  0.440989  1
  H  H127  1  0.623265  0.701070  0.459866  1
  H  H128  1  0.355041  0.636140  0.478806  1
  H  H129  1  0.289932  0.367737  0.459866  1
  H  H130  1  0.990684  0.667000  0.469166  1
  H  H131  1  1.021708  0.302807  0.478806  1
  H  H132  1  0.956598  1.034403  0.459866  1
  H  H133  1  0.657350  0.333667  0.469166  1
  H  H134  1  0.688374  0.969473  0.478806  1
  H  H135  1  0.324017  1.000333  0.469166  1
  H  H136  1  0.722742  0.601616  0.487681  1
  H  H137  1  0.464110  0.526413  0.507340  1
  H  H138  1  0.389408  0.268283  0.487681  1
  H  H139  1  1.086883  0.571159  0.498216  1
  H  H140  1  1.130776  0.193079  0.507340  1
  H  H141  1  1.056075  0.934950  0.487681  1
  H  H142  1  0.753550  0.237825  0.498216  1
  H  H143  1  0.797443  0.859746  0.507340  1
  H  H144  1  0.420216  0.904492  0.498216  1
