# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.52061056
_cell_length_b   11.06728883
_cell_length_c   46.67177765
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   130.99671206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   5660.85447952
_cell_formula_units_Z   108
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  0.687024  0.374042  0.327399  1
  H  H2  1  0.353691  0.374042  0.327399  1
  H  H3  1  0.272185  0.877699  0.276117  1
  H  H4  1  0.020357  0.374042  0.327399  1
  H  H5  1  0.938852  0.877699  0.276117  1
  H  H6  1  0.979605  0.625870  0.301758  1
  H  H7  1  0.605519  0.877699  0.276117  1
  H  H8  1  0.646271  0.625870  0.301758  1
  H  H9  1  0.312938  0.625870  0.301758  1
  H  H10  1  0.665133  0.330260  0.313626  1
  H  H11  1  0.331799  0.330260  0.313626  1
  H  H12  1  0.372552  0.078432  0.339267  1
  H  H13  1  0.998466  0.330260  0.313626  1
  H  H14  1  0.039219  0.078432  0.339267  1
  H  H15  1  0.957713  0.582088  0.287985  1
  H  H16  1  0.705885  0.078432  0.339267  1
  H  H17  1  0.624380  0.582088  0.287985  1
  H  H18  1  0.291047  0.582088  0.287985  1
  H  H19  1  0.874067  0.748128  0.340220  1
  H  H20  1  0.540734  0.748128  0.340220  1
  H  H21  1  0.459228  0.251784  0.288938  1
  H  H22  1  0.207400  0.748128  0.340220  1
  H  H23  1  0.125895  0.251784  0.288938  1
  H  H24  1  0.166648  0.999956  0.314579  1
  H  H25  1  0.792562  0.251784  0.288938  1
  H  H26  1  0.833314  0.999956  0.314579  1
  H  H27  1  0.499981  0.999956  0.314579  1
  H  H28  1  0.852176  0.704346  0.326446  1
  H  H29  1  0.518842  0.704346  0.326446  1
  H  H30  1  0.437337  0.208002  0.275164  1
  H  H31  1  0.185509  0.704346  0.326446  1
  H  H32  1  0.104004  0.208002  0.275164  1
  H  H33  1  0.144756  0.956174  0.300805  1
  H  H34  1  0.770670  0.208002  0.275164  1
  H  H35  1  0.811423  0.956174  0.300805  1
  H  H36  1  0.478090  0.956174  0.300805  1
  H  H37  1  0.809282  0.618558  0.404323  1
  H  H38  1  0.475949  0.618558  0.404323  1
  H  H39  1  0.394443  0.122214  0.353040  1
  H  H40  1  0.142615  0.618558  0.404323  1
  H  H41  1  0.061110  0.122214  0.353040  1
  H  H42  1  0.101863  0.870386  0.378682  1
  H  H43  1  0.727777  0.122214  0.353040  1
  H  H44  1  0.768529  0.870386  0.378682  1
  H  H45  1  0.435196  0.870386  0.378682  1
  H  H46  1  0.787391  0.574775  0.390549  1
  H  H47  1  0.454057  0.574775  0.390549  1
  H  H48  1  0.494810  0.322947  0.416190  1
  H  H49  1  0.120724  0.574775  0.390549  1
  H  H50  1  0.161477  0.322947  0.416190  1
  H  H51  1  0.079971  0.826603  0.364908  1
  H  H52  1  0.828143  0.322947  0.416190  1
  H  H53  1  0.746638  0.826603  0.364908  1
  H  H54  1  0.413305  0.826603  0.364908  1
  H  H55  1  0.996325  0.992644  0.417143  1
  H  H56  1  0.662992  0.992644  0.417143  1
  H  H57  1  0.581486  0.496300  0.365861  1
  H  H58  1  0.329658  0.992644  0.417143  1
  H  H59  1  0.248153  0.496300  0.365861  1
  H  H60  1  0.288906  0.244472  0.391502  1
  H  H61  1  0.914820  0.496300  0.365861  1
  H  H62  1  0.955572  0.244472  0.391502  1
  H  H63  1  0.622239  0.244472  0.391502  1
  H  H64  1  0.974434  0.948861  0.403369  1
  H  H65  1  0.641100  0.948861  0.403369  1
  H  H66  1  0.559595  0.452518  0.352087  1
  H  H67  1  0.307767  0.948861  0.403369  1
  H  H68  1  0.226262  0.452518  0.352087  1
  H  H69  1  0.267014  0.200689  0.377728  1
  H  H70  1  0.892928  0.452518  0.352087  1
  H  H71  1  0.933681  0.200689  0.377728  1
  H  H72  1  0.600348  0.200689  0.377728  1
  H  H73  1  0.931540  0.863074  0.481246  1
  H  H74  1  0.598206  0.863074  0.481246  1
  H  H75  1  0.516701  0.366730  0.429964  1
  H  H76  1  0.264873  0.863074  0.481246  1
  H  H77  1  0.183368  0.366730  0.429964  1
  H  H78  1  0.224120  0.114902  0.455605  1
  H  H79  1  0.850035  0.366730  0.429964  1
  H  H80  1  0.890787  0.114902  0.455605  1
  H  H81  1  0.557454  0.114902  0.455605  1
  H  H82  1  0.909648  0.819291  0.467472  1
  H  H83  1  0.576315  0.819291  0.467472  1
  H  H84  1  0.617068  0.567463  0.493113  1
  H  H85  1  0.242982  0.819291  0.467472  1
  H  H86  1  0.283734  0.567463  0.493113  1
  H  H87  1  0.202229  0.071119  0.441831  1
  H  H88  1  0.950401  0.567463  0.493113  1
  H  H89  1  0.868896  0.071119  0.441831  1
  H  H90  1  0.535562  0.071119  0.441831  1
  H  H91  1  0.118583  0.237160  0.494066  1
  H  H92  1  0.785249  0.237160  0.494066  1
  H  H93  1  0.703744  0.740816  0.442784  1
  H  H94  1  0.451916  0.237160  0.494066  1
  H  H95  1  0.370411  0.740816  0.442784  1
  H  H96  1  0.411163  0.488988  0.468425  1
  H  H97  1  0.037078  0.740816  0.442784  1
  H  H98  1  0.077830  0.488988  0.468425  1
  H  H99  1  0.744497  0.488988  0.468425  1
  H  H100  1  0.096691  0.193377  0.480292  1
  H  H101  1  0.763358  0.193377  0.480292  1
  H  H102  1  0.681853  0.697033  0.429010  1
  H  H103  1  0.430025  0.193377  0.480292  1
  H  H104  1  0.348520  0.697033  0.429010  1
  H  H105  1  0.389272  0.445205  0.454651  1
  H  H106  1  0.015186  0.697033  0.429010  1
  H  H107  1  0.055939  0.445205  0.454651  1
  H  H108  1  0.722605  0.445205  0.454651  1
  H  H109  1  0.053798  0.107589  0.558169  1
  H  H110  1  0.720464  0.107589  0.558169  1
  H  H111  1  0.638959  0.611246  0.506887  1
  H  H112  1  0.387131  0.107589  0.558169  1
  H  H113  1  0.305626  0.611246  0.506887  1
  H  H114  1  0.346378  0.359418  0.532528  1
  H  H115  1  0.972292  0.611246  0.506887  1
  H  H116  1  0.013045  0.359418  0.532528  1
  H  H117  1  0.679712  0.359418  0.532528  1
  H  H118  1  0.031906  0.063807  0.544395  1
  H  H119  1  0.698573  0.063807  0.544395  1
  H  H120  1  0.739326  0.811979  0.570036  1
  H  H121  1  0.365240  0.063807  0.544395  1
  H  H122  1  0.405992  0.811979  0.570036  1
  H  H123  1  0.324487  0.315635  0.518754  1
  H  H124  1  0.072659  0.811979  0.570036  1
  H  H125  1  0.991154  0.315635  0.518754  1
  H  H126  1  0.657820  0.315635  0.518754  1
  H  H127  1  0.240841  0.481675  0.570989  1
  H  H128  1  0.907507  0.481675  0.570989  1
  H  H129  1  0.826002  0.985332  0.519707  1
  H  H130  1  0.574174  0.481675  0.570989  1
  H  H131  1  0.492669  0.985332  0.519707  1
  H  H132  1  0.533421  0.733504  0.545348  1
  H  H133  1  0.159335  0.985332  0.519707  1
  H  H134  1  0.200088  0.733504  0.545348  1
  H  H135  1  0.866755  0.733504  0.545348  1
  H  H136  1  0.218949  0.437893  0.557215  1
  H  H137  1  0.885616  0.437893  0.557215  1
  H  H138  1  0.804111  0.941549  0.505933  1
  H  H139  1  0.552283  0.437893  0.557215  1
  H  H140  1  0.470777  0.941549  0.505933  1
  H  H141  1  0.511530  0.689721  0.531574  1
  H  H142  1  0.137444  0.941549  0.505933  1
  H  H143  1  0.178197  0.689721  0.531574  1
  H  H144  1  0.844863  0.689721  0.531574  1
  H  H145  1  0.176055  0.352105  0.635092  1
  H  H146  1  0.842722  0.352105  0.635092  1
  H  H147  1  0.761217  0.855761  0.583810  1
  H  H148  1  0.509389  0.352105  0.635092  1
  H  H149  1  0.427884  0.855761  0.583810  1
  H  H150  1  0.468636  0.603933  0.609451  1
  H  H151  1  0.094550  0.855761  0.583810  1
  H  H152  1  0.135303  0.603933  0.609451  1
  H  H153  1  0.801970  0.603933  0.609451  1
  H  H154  1  0.154164  0.308322  0.621318  1
  H  H155  1  0.820831  0.308322  0.621318  1
  H  H156  1  0.861583  0.056494  0.646959  1
  H  H157  1  0.487497  0.308322  0.621318  1
  H  H158  1  0.528250  0.056494  0.646959  1
  H  H159  1  0.446745  0.560151  0.595677  1
  H  H160  1  0.194917  0.056494  0.646959  1
  H  H161  1  0.113412  0.560151  0.595677  1
  H  H162  1  0.780078  0.560151  0.595677  1
  H  H163  1  0.363098  0.726191  0.647912  1
  H  H164  1  0.029765  0.726191  0.647912  1
  H  H165  1  0.948260  0.229847  0.596630  1
  H  H166  1  0.696432  0.726191  0.647912  1
  H  H167  1  0.614927  0.229847  0.596630  1
  H  H168  1  0.655679  0.978019  0.622271  1
  H  H169  1  0.281593  0.229847  0.596630  1
  H  H170  1  0.322346  0.978019  0.622271  1
  H  H171  1  0.989013  0.978019  0.622271  1
  H  H172  1  0.341207  0.682408  0.634139  1
  H  H173  1  0.007874  0.682408  0.634139  1
  H  H174  1  0.926369  0.186065  0.582856  1
  H  H175  1  0.674540  0.682408  0.634139  1
  H  H176  1  0.593035  0.186065  0.582856  1
  H  H177  1  0.633788  0.934237  0.608498  1
  H  H178  1  0.259702  0.186065  0.582856  1
  H  H179  1  0.300455  0.934237  0.608498  1
  H  H180  1  0.967121  0.934237  0.608498  1
  H  H181  1  0.298313  0.596621  0.712015  1
  H  H182  1  0.964980  0.596621  0.712015  1
  H  H183  1  0.883475  0.100277  0.660733  1
  H  H184  1  0.631647  0.596621  0.712015  1
  H  H185  1  0.550141  0.100277  0.660733  1
  H  H186  1  0.590894  0.848449  0.686374  1
  H  H187  1  0.216808  0.100277  0.660733  1
  H  H188  1  0.257561  0.848449  0.686374  1
  H  H189  1  0.924227  0.848449  0.686374  1
  H  H190  1  0.276422  0.552838  0.698241  1
  H  H191  1  0.943089  0.552838  0.698241  1
  H  H192  1  0.983841  0.301010  0.723882  1
  H  H193  1  0.609755  0.552838  0.698241  1
  H  H194  1  0.650508  0.301010  0.723882  1
  H  H195  1  0.569003  0.804666  0.672600  1
  H  H196  1  0.317175  0.301010  0.723882  1
  H  H197  1  0.235669  0.804666  0.672600  1
  H  H198  1  0.902336  0.804666  0.672600  1
  H  H199  1  0.485356  0.970707  0.724835  1
  H  H200  1  0.152023  0.970707  0.724835  1
  H  H201  1  0.070518  0.474363  0.673553  1
  H  H202  1  0.818690  0.970707  0.724835  1
  H  H203  1  0.737184  0.474363  0.673553  1
  H  H204  1  0.777937  0.222535  0.699194  1
  H  H205  1  0.403851  0.474363  0.673553  1
  H  H206  1  0.444604  0.222535  0.699194  1
  H  H207  1  0.111270  0.222535  0.699194  1
  H  H208  1  0.463465  0.926924  0.711062  1
  H  H209  1  0.130132  0.926924  0.711062  1
  H  H210  1  0.048626  0.430580  0.659780  1
  H  H211  1  0.796798  0.926924  0.711062  1
  H  H212  1  0.715293  0.430580  0.659780  1
  H  H213  1  0.756046  0.178752  0.685421  1
  H  H214  1  0.381960  0.430580  0.659780  1
  H  H215  1  0.422712  0.178752  0.685421  1
  H  H216  1  0.089379  0.178752  0.685421  1
