# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   27.15174579
_cell_length_b   15.36526741
_cell_length_c   49.14439993
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.25123860
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   20338.7642856
_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  0.189289  0.400050  0.299145  1
  H  H2  1  0.195990  0.993864  0.324786  1
  H  H3  1  0.349255  0.139570  0.273504  1
  H  H4  1  0.522623  0.066717  0.299145  1
  H  H5  1  0.182588  0.806236  0.273504  1
  H  H6  1  0.355956  0.733384  0.299145  1
  H  H7  1  0.362657  0.327197  0.324786  1
  H  H8  1  0.515922  0.472903  0.273504  1
  H  H9  1  0.689289  0.400050  0.299145  1
  H  H10  1  0.695990  0.993864  0.324786  1
  H  H11  1  0.849255  0.139570  0.273504  1
  H  H12  1  0.022623  0.066717  0.299145  1
  H  H13  1  0.529324  0.660531  0.324786  1
  H  H14  1  0.682588  0.806236  0.273504  1
  H  H15  1  0.855956  0.733384  0.299145  1
  H  H16  1  0.862657  0.327197  0.324786  1
  H  H17  1  0.015922  0.472903  0.273504  1
  H  H18  1  0.029324  0.660531  0.324786  1
  H  H19  1  0.138201  0.184815  0.316239  1
  H  H20  1  0.144902  0.778629  0.341880  1
  H  H21  1  0.298167  0.924335  0.290598  1
  H  H22  1  0.471534  0.851482  0.316239  1
  H  H23  1  0.131500  0.591001  0.290598  1
  H  H24  1  0.304868  0.518148  0.316239  1
  H  H25  1  0.311569  0.111962  0.341880  1
  H  H26  1  0.464833  0.257668  0.290598  1
  H  H27  1  0.638201  0.184815  0.316239  1
  H  H28  1  0.644902  0.778629  0.341880  1
  H  H29  1  0.798167  0.924335  0.290598  1
  H  H30  1  0.971534  0.851482  0.316239  1
  H  H31  1  0.478235  0.445296  0.341880  1
  H  H32  1  0.631500  0.591001  0.290598  1
  H  H33  1  0.804868  0.518148  0.316239  1
  H  H34  1  0.811569  0.111962  0.341880  1
  H  H35  1  0.964833  0.257668  0.290598  1
  H  H36  1  0.978235  0.445296  0.341880  1
  H  H37  1  0.209392  0.181492  0.376068  1
  H  H38  1  0.216093  0.775306  0.401709  1
  H  H39  1  0.369358  0.921011  0.350427  1
  H  H40  1  0.542726  0.848158  0.376068  1
  H  H41  1  0.202691  0.587678  0.350427  1
  H  H42  1  0.376059  0.514825  0.376068  1
  H  H43  1  0.382760  0.108639  0.401709  1
  H  H44  1  0.536025  0.254345  0.350427  1
  H  H45  1  0.709392  0.181492  0.376068  1
  H  H46  1  0.716093  0.775306  0.401709  1
  H  H47  1  0.869358  0.921011  0.350427  1
  H  H48  1  0.042726  0.848158  0.376068  1
  H  H49  1  0.549427  0.441972  0.401709  1
  H  H50  1  0.702691  0.587678  0.350427  1
  H  H51  1  0.876059  0.514825  0.376068  1
  H  H52  1  0.882760  0.108639  0.401709  1
  H  H53  1  0.036025  0.254345  0.350427  1
  H  H54  1  0.049427  0.441972  0.401709  1
  H  H55  1  0.158304  0.966257  0.393162  1
  H  H56  1  0.165005  0.560070  0.418803  1
  H  H57  1  0.318270  0.705776  0.367521  1
  H  H58  1  0.491637  0.632923  0.393162  1
  H  H59  1  0.151603  0.372443  0.367521  1
  H  H60  1  0.324971  0.299590  0.393162  1
  H  H61  1  0.331672  0.893404  0.418803  1
  H  H62  1  0.484936  0.039109  0.367521  1
  H  H63  1  0.658304  0.966257  0.393162  1
  H  H64  1  0.665005  0.560070  0.418803  1
  H  H65  1  0.818270  0.705776  0.367521  1
  H  H66  1  0.991637  0.632923  0.393162  1
  H  H67  1  0.498338  0.226737  0.418803  1
  H  H68  1  0.651603  0.372443  0.367521  1
  H  H69  1  0.824971  0.299590  0.393162  1
  H  H70  1  0.831672  0.893404  0.418803  1
  H  H71  1  0.984936  0.039109  0.367521  1
  H  H72  1  0.998338  0.226737  0.418803  1
  H  H73  1  0.229495  0.962933  0.452991  1
  H  H74  1  0.236196  0.556747  0.478632  1
  H  H75  1  0.389461  0.702453  0.427350  1
  H  H76  1  0.562829  0.629600  0.452991  1
  H  H77  1  0.222794  0.369120  0.427350  1
  H  H78  1  0.396162  0.296267  0.452991  1
  H  H79  1  0.402863  0.890081  0.478632  1
  H  H80  1  0.556128  0.035786  0.427350  1
  H  H81  1  0.729495  0.962933  0.452991  1
  H  H82  1  0.736196  0.556747  0.478632  1
  H  H83  1  0.889461  0.702453  0.427350  1
  H  H84  1  0.062829  0.629600  0.452991  1
  H  H85  1  0.569530  0.223414  0.478632  1
  H  H86  1  0.722794  0.369120  0.427350  1
  H  H87  1  0.896162  0.296267  0.452991  1
  H  H88  1  0.902863  0.890081  0.478632  1
  H  H89  1  0.056128  0.035786  0.427350  1
  H  H90  1  0.069530  0.223414  0.478632  1
  H  H91  1  0.178407  0.747698  0.470085  1
  H  H92  1  0.185108  0.341512  0.495726  1
  H  H93  1  0.338373  0.487218  0.444444  1
  H  H94  1  0.511740  0.414365  0.470085  1
  H  H95  1  0.171706  0.153884  0.444444  1
  H  H96  1  0.345074  0.081031  0.470085  1
  H  H97  1  0.351775  0.674845  0.495726  1
  H  H98  1  0.505039  0.820551  0.444444  1
  H  H99  1  0.678407  0.747698  0.470085  1
  H  H100  1  0.685108  0.341512  0.495726  1
  H  H101  1  0.838373  0.487218  0.444444  1
  H  H102  1  0.011740  0.414365  0.470085  1
  H  H103  1  0.518441  0.008179  0.495726  1
  H  H104  1  0.671706  0.153884  0.444444  1
  H  H105  1  0.845074  0.081031  0.470085  1
  H  H106  1  0.851775  0.674845  0.495726  1
  H  H107  1  0.005039  0.820551  0.444444  1
  H  H108  1  0.018441  0.008179  0.495726  1
  H  H109  1  0.249598  0.744375  0.529915  1
  H  H110  1  0.256299  0.338189  0.555556  1
  H  H111  1  0.409564  0.483894  0.504274  1
  H  H112  1  0.582932  0.411042  0.529915  1
  H  H113  1  0.242897  0.150561  0.504274  1
  H  H114  1  0.416265  0.077708  0.529915  1
  H  H115  1  0.422966  0.671522  0.555556  1
  H  H116  1  0.576231  0.817228  0.504274  1
  H  H117  1  0.749598  0.744375  0.529915  1
  H  H118  1  0.756299  0.338189  0.555556  1
  H  H119  1  0.909564  0.483894  0.504274  1
  H  H120  1  0.082932  0.411042  0.529915  1
  H  H121  1  0.589633  0.004855  0.555556  1
  H  H122  1  0.742897  0.150561  0.504274  1
  H  H123  1  0.916265  0.077708  0.529915  1
  H  H124  1  0.922966  0.671522  0.555556  1
  H  H125  1  0.076231  0.817228  0.504274  1
  H  H126  1  0.089633  0.004855  0.555556  1
  H  H127  1  0.198510  0.529140  0.547009  1
  H  H128  1  0.205211  0.122953  0.572650  1
  H  H129  1  0.358476  0.268659  0.521368  1
  H  H130  1  0.531843  0.195806  0.547009  1
  H  H131  1  0.191809  0.935326  0.521368  1
  H  H132  1  0.365177  0.862473  0.547009  1
  H  H133  1  0.371878  0.456287  0.572650  1
  H  H134  1  0.525142  0.601992  0.521368  1
  H  H135  1  0.698510  0.529140  0.547009  1
  H  H136  1  0.705211  0.122953  0.572650  1
  H  H137  1  0.858476  0.268659  0.521368  1
  H  H138  1  0.031843  0.195806  0.547009  1
  H  H139  1  0.538544  0.789620  0.572650  1
  H  H140  1  0.691809  0.935326  0.521368  1
  H  H141  1  0.865177  0.862473  0.547009  1
  H  H142  1  0.871878  0.456287  0.572650  1
  H  H143  1  0.025142  0.601992  0.521368  1
  H  H144  1  0.038544  0.789620  0.572650  1
  H  H145  1  0.269701  0.525816  0.606838  1
  H  H146  1  0.276402  0.119630  0.632479  1
  H  H147  1  0.429667  0.265336  0.581197  1
  H  H148  1  0.603035  0.192483  0.606838  1
  H  H149  1  0.263000  0.932003  0.581197  1
  H  H150  1  0.436368  0.859150  0.606838  1
  H  H151  1  0.443069  0.452964  0.632479  1
  H  H152  1  0.596334  0.598669  0.581197  1
  H  H153  1  0.769701  0.525816  0.606838  1
  H  H154  1  0.776402  0.119630  0.632479  1
  H  H155  1  0.929667  0.265336  0.581197  1
  H  H156  1  0.103035  0.192483  0.606838  1
  H  H157  1  0.609735  0.786297  0.632479  1
  H  H158  1  0.763000  0.932003  0.581197  1
  H  H159  1  0.936368  0.859150  0.606838  1
  H  H160  1  0.943069  0.452964  0.632479  1
  H  H161  1  0.096334  0.598669  0.581197  1
  H  H162  1  0.109735  0.786297  0.632479  1
  H  H163  1  0.218613  0.310581  0.623932  1
  H  H164  1  0.225314  0.904395  0.649573  1
  H  H165  1  0.378579  0.050101  0.598291  1
  H  H166  1  0.551946  0.977248  0.623932  1
  H  H167  1  0.211912  0.716767  0.598291  1
  H  H168  1  0.385280  0.643914  0.623932  1
  H  H169  1  0.391981  0.237728  0.649573  1
  H  H170  1  0.545245  0.383434  0.598291  1
  H  H171  1  0.718613  0.310581  0.623932  1
  H  H172  1  0.725314  0.904395  0.649573  1
  H  H173  1  0.878579  0.050101  0.598291  1
  H  H174  1  0.051946  0.977248  0.623932  1
  H  H175  1  0.558647  0.571062  0.649573  1
  H  H176  1  0.711912  0.716767  0.598291  1
  H  H177  1  0.885280  0.643914  0.623932  1
  H  H178  1  0.891981  0.237728  0.649573  1
  H  H179  1  0.045245  0.383434  0.598291  1
  H  H180  1  0.058647  0.571062  0.649573  1
  H  H181  1  0.289804  0.307258  0.683761  1
  H  H182  1  0.296505  0.901072  0.709402  1
  H  H183  1  0.449770  0.046777  0.658120  1
  H  H184  1  0.623137  0.973925  0.683761  1
  H  H185  1  0.283103  0.713444  0.658120  1
  H  H186  1  0.456471  0.640591  0.683761  1
  H  H187  1  0.463172  0.234405  0.709402  1
  H  H188  1  0.616436  0.380111  0.658120  1
  H  H189  1  0.789804  0.307258  0.683761  1
  H  H190  1  0.796505  0.901072  0.709402  1
  H  H191  1  0.949770  0.046777  0.658120  1
  H  H192  1  0.123137  0.973925  0.683761  1
  H  H193  1  0.629838  0.567738  0.709402  1
  H  H194  1  0.783103  0.713444  0.658120  1
  H  H195  1  0.956471  0.640591  0.683761  1
  H  H196  1  0.963172  0.234405  0.709402  1
  H  H197  1  0.116436  0.380111  0.658120  1
  H  H198  1  0.129838  0.567738  0.709402  1
  H  H199  1  0.238716  0.092023  0.700855  1
  H  H200  1  0.245417  0.685836  0.726496  1
  H  H201  1  0.398682  0.831542  0.675214  1
  H  H202  1  0.572049  0.758689  0.700855  1
  H  H203  1  0.232015  0.498209  0.675214  1
  H  H204  1  0.405383  0.425356  0.700855  1
  H  H205  1  0.412084  0.019170  0.726496  1
  H  H206  1  0.565348  0.164875  0.675214  1
  H  H207  1  0.738716  0.092023  0.700855  1
  H  H208  1  0.745417  0.685836  0.726496  1
  H  H209  1  0.898682  0.831542  0.675214  1
  H  H210  1  0.072049  0.758689  0.700855  1
  H  H211  1  0.578750  0.352503  0.726496  1
  H  H212  1  0.732015  0.498209  0.675214  1
  H  H213  1  0.905383  0.425356  0.700855  1
  H  H214  1  0.912084  0.019170  0.726496  1
  H  H215  1  0.065348  0.164875  0.675214  1
  H  H216  1  0.078750  0.352503  0.726496  1
