# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.98160545
_cell_length_b   8.07723877
_cell_length_c   49.93034901
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.30977198
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H240
_cell_volume   4826.84813609
_cell_formula_units_Z   120
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  0.400877  0.326881  0.279199  1
  H  H2  1  0.723893  0.294857  0.293538  1
  H  H3  1  1.079193  0.375305  0.264091  1
  H  H4  1  0.367081  0.608328  0.267913  1
  H  H5  1  0.686289  0.577851  0.283293  1
  H  H6  1  1.009283  0.546315  0.298903  1
  H  H7  1  0.299816  0.784947  0.302647  1
  H  H8  1  0.671111  0.859800  0.270259  1
  H  H9  1  0.981029  0.817549  0.284767  1
  H  H10  1  0.346878  0.049621  0.288221  1
  H  H11  1  0.673114  0.030680  0.306734  1
  H  H12  1  1.035293  0.093309  0.275080  1
  H  H13  1  0.223893  0.294857  0.293538  1
  H  H14  1  0.579193  0.375305  0.264091  1
  H  H15  1  0.900877  0.326881  0.279199  1
  H  H16  1  0.186289  0.577851  0.283293  1
  H  H17  1  0.509283  0.546315  0.298903  1
  H  H18  1  0.867081  0.608328  0.267913  1
  H  H19  1  1.171111  0.859800  0.270259  1
  H  H20  1  0.481029  0.817549  0.284767  1
  H  H21  1  0.799816  0.784947  0.302647  1
  H  H22  1  1.173114  0.030680  0.306734  1
  H  H23  1  0.535293  0.093309  0.275080  1
  H  H24  1  0.846878  0.049621  0.288221  1
  H  H25  1  0.374550  0.240078  0.323854  1
  H  H26  1  0.700680  0.218001  0.339499  1
  H  H27  1  1.050139  0.275207  0.310076  1
  H  H28  1  0.333462  0.510874  0.313306  1
  H  H29  1  0.658049  0.486957  0.327997  1
  H  H30  1  0.981776  0.457183  0.343227  1
  H  H31  1  0.264695  0.700255  0.346759  1
  H  H32  1  0.618890  0.760530  0.316657  1
  H  H33  1  0.942219  0.729625  0.331778  1
  H  H34  1  0.320518  -0.026827  0.335723  1
  H  H35  1  0.644385  0.943713  0.350628  1
  H  H36  1  0.994594  0.000713  0.320019  1
  H  H37  1  0.200680  0.218001  0.339499  1
  H  H38  1  0.550139  0.275207  0.310076  1
  H  H39  1  0.874550  0.240078  0.323854  1
  H  H40  1  1.158049  0.486957  0.327997  1
  H  H41  1  0.481776  0.457183  0.343227  1
  H  H42  1  0.833462  0.510874  0.313306  1
  H  H43  1  1.118890  0.760530  0.316657  1
  H  H44  1  0.442219  0.729625  0.331778  1
  H  H45  1  0.764695  0.700255  0.346759  1
  H  H46  1  1.144385  0.943713  0.350628  1
  H  H47  1  0.494594  0.000713  0.320019  1
  H  H48  1  0.820518  -0.026827  0.335723  1
  H  H49  1  0.350018  0.158641  0.368994  1
  H  H50  1  0.674202  0.129759  0.383953  1
  H  H51  1  1.025282  0.185683  0.353984  1
  H  H52  1  0.306634  0.429010  0.357968  1
  H  H53  1  0.630682  0.401093  0.372868  1
  H  H54  1  0.955143  0.371896  0.387816  1
  H  H55  1  0.236233  0.614538  0.391571  1
  H  H56  1  0.588402  0.671794  0.361588  1
  H  H57  1  0.912236  0.643346  0.376627  1
  H  H58  1  0.293279  0.886399  0.380314  1
  H  H59  1  0.617416  0.857488  0.395207  1
  H  H60  1  0.968993  0.915143  0.365331  1
  H  H61  1  1.174202  0.129759  0.383953  1
  H  H62  1  0.525282  0.185683  0.353984  1
  H  H63  1  0.850018  0.158641  0.368994  1
  H  H64  1  1.130682  0.401093  0.372868  1
  H  H65  1  0.455143  0.371896  0.387816  1
  H  H66  1  0.806634  0.429010  0.357968  1
  H  H67  1  1.088402  0.671794  0.361588  1
  H  H68  1  0.412236  0.643346  0.376627  1
  H  H69  1  0.736233  0.614538  0.391571  1
  H  H70  1  1.117416  0.857488  0.395207  1
  H  H71  1  0.468993  0.915143  0.365331  1
  H  H72  1  0.793279  0.886399  0.380314  1
  H  H73  1  0.322607  0.072398  0.413752  1
  H  H74  1  0.646771  0.043665  0.428684  1
  H  H75  1  0.998411  0.100928  0.398848  1
  H  H76  1  0.279258  0.343523  0.402698  1
  H  H77  1  0.603476  0.314837  0.417632  1
  H  H78  1  0.927618  0.286155  0.432553  1
  H  H79  1  0.208544  0.528604  0.436385  1
  H  H80  1  0.560293  0.585953  0.406505  1
  H  H81  1  0.884425  0.557242  0.421448  1
  H  H82  1  0.265700  0.800430  0.425059  1
  H  H83  1  0.589797  0.771811  0.439991  1
  H  H84  1  0.941569  0.829123  0.410121  1
  H  H85  1  1.146771  0.043665  0.428684  1
  H  H86  1  0.498411  0.100928  0.398848  1
  H  H87  1  0.822607  0.072398  0.413752  1
  H  H88  1  1.103476  0.314837  0.417632  1
  H  H89  1  0.427618  0.286155  0.432553  1
  H  H90  1  0.779258  0.343523  0.402698  1
  H  H91  1  1.060293  0.585953  0.406505  1
  H  H92  1  0.384425  0.557242  0.421448  1
  H  H93  1  0.708544  0.528604  0.436385  1
  H  H94  1  1.089797  0.771811  0.439991  1
  H  H95  1  0.441569  0.829123  0.410121  1
  H  H96  1  0.765700  0.800430  0.425059  1
  H  H97  1  0.295082  -0.013544  0.458530  1
  H  H98  1  0.619232  -0.042184  0.473460  1
  H  H99  1  0.970921  0.015073  0.443611  1
  H  H100  1  0.251782  0.257516  0.447469  1
  H  H101  1  0.575936  0.228868  0.462395  1
  H  H102  1  0.900080  0.200236  0.477323  1
  H  H103  1  1.180953  0.442649  0.481177  1
  H  H104  1  0.532677  0.499943  0.451315  1
  H  H105  1  0.856813  0.471298  0.466247  1
  H  H106  1  0.238047  0.714556  0.469852  1
  H  H107  1  0.562172  0.685913  0.484780  1
  H  H108  1  0.913921  0.743187  0.454916  1
  H  H109  1  1.119232  -0.042184  0.473460  1
  H  H110  1  0.470921  0.015073  0.443611  1
  H  H111  1  0.795082  -0.013544  0.458530  1
  H  H112  1  1.075936  0.228868  0.462395  1
  H  H113  1  0.400080  0.200236  0.477323  1
  H  H114  1  0.751782  0.257516  0.447469  1
  H  H115  1  1.032677  0.499943  0.451315  1
  H  H116  1  0.356813  0.471298  0.466247  1
  H  H117  1  0.680953  0.442649  0.481177  1
  H  H118  1  1.062172  0.685913  0.484780  1
  H  H119  1  0.413921  0.743187  0.454916  1
  H  H120  1  0.738047  0.714556  0.469852  1
  H  H121  1  0.267515  0.900547  0.503317  1
  H  H122  1  0.591657  0.871897  0.518243  1
  H  H123  1  0.943370  0.929178  0.488388  1
  H  H124  1  0.224233  0.171598  0.492247  1
  H  H125  1  0.548382  0.142956  0.507168  1
  H  H126  1  0.872522  0.114314  0.522102  1
  H  H127  1  1.153379  0.356741  0.525963  1
  H  H128  1  0.505091  0.414013  0.496102  1
  H  H129  1  0.829230  0.385381  0.511034  1
  H  H130  1  0.210429  0.628639  0.514647  1
  H  H131  1  0.534554  0.599999  0.529568  1
  H  H132  1  0.886300  0.657285  0.499712  1
  H  H133  1  1.091657  0.871897  0.518243  1
  H  H134  1  0.443370  0.929178  0.488388  1
  H  H135  1  0.767515  0.900547  0.503317  1
  H  H136  1  1.048382  0.142956  0.507168  1
  H  H137  1  0.372522  0.114314  0.522102  1
  H  H138  1  0.724233  0.171598  0.492247  1
  H  H139  1  1.005091  0.414013  0.496102  1
  H  H140  1  0.329230  0.385381  0.511034  1
  H  H141  1  0.653379  0.356741  0.525963  1
  H  H142  1  1.034554  0.599999  0.529568  1
  H  H143  1  0.386300  0.657285  0.499712  1
  H  H144  1  0.710429  0.628639  0.514647  1
  H  H145  1  0.239931  0.814622  0.548113  1
  H  H146  1  0.564085  0.785885  0.563035  1
  H  H147  1  0.915788  0.843260  0.533181  1
  H  H148  1  0.196688  0.085682  0.537025  1
  H  H149  1  0.520839  0.057029  0.551929  1
  H  H150  1  0.844989  0.028396  0.566891  1
  H  H151  1  1.125839  0.270850  0.570748  1
  H  H152  1  0.477525  0.328128  0.540871  1
  H  H153  1  0.801663  0.299482  0.555813  1
  H  H154  1  1.182785  0.542719  0.559449  1
  H  H155  1  0.506892  0.514138  0.574350  1
  H  H156  1  0.858667  0.571389  0.544506  1
  H  H157  1  1.064085  0.785885  0.563035  1
  H  H158  1  0.415788  0.843260  0.533181  1
  H  H159  1  0.739931  0.814622  0.548113  1
  H  H160  1  1.020839  0.057029  0.551929  1
  H  H161  1  0.344989  0.028396  0.566891  1
  H  H162  1  0.696688  0.085682  0.537025  1
  H  H163  1  0.977525  0.328128  0.540871  1
  H  H164  1  0.301663  0.299482  0.555813  1
  H  H165  1  0.625839  0.270850  0.570748  1
  H  H166  1  1.006892  0.514138  0.574350  1
  H  H167  1  0.358667  0.571389  0.544506  1
  H  H168  1  0.682785  0.542719  0.559449  1
  H  H169  1  0.212277  0.728654  0.592931  1
  H  H170  1  0.536424  0.699663  0.607870  1
  H  H171  1  0.888170  0.757311  0.577989  1
  H  H172  1  1.169181  -0.000132  0.581792  1
  H  H173  1  0.493478  -0.029221  0.596633  1
  H  H174  1  0.817529  0.942624  0.611686  1
  H  H175  1  1.098507  0.185374  0.615614  1
  H  H176  1  0.450002  0.242315  0.585600  1
  H  H177  1  0.774016  0.213523  0.600584  1
  H  H178  1  1.155139  0.456847  0.604260  1
  H  H179  1  0.479328  0.428347  0.619065  1
  H  H180  1  0.830954  0.485526  0.589287  1
  H  H181  1  1.036424  0.699663  0.607870  1
  H  H182  1  0.388170  0.757311  0.577989  1
  H  H183  1  0.712277  0.728654  0.592931  1
  H  H184  1  0.993478  -0.029221  0.596633  1
  H  H185  1  0.317529  0.942624  0.611686  1
  H  H186  1  0.669181  -0.000132  0.581792  1
  H  H187  1  0.950002  0.242315  0.585600  1
  H  H188  1  0.274016  0.213523  0.600584  1
  H  H189  1  0.598507  0.185374  0.615614  1
  H  H190  1  0.979328  0.428347  0.619065  1
  H  H191  1  0.330954  0.485526  0.589287  1
  H  H192  1  0.655139  0.456847  0.604260  1
  H  H193  1  0.183854  0.642533  0.637791  1
  H  H194  1  0.507550  0.612691  0.652770  1
  H  H195  1  0.860209  0.671429  0.622776  1
  H  H196  1  1.142019  0.914332  0.626445  1
  H  H197  1  0.466454  0.883660  0.641230  1
  H  H198  1  0.789805  0.858279  0.656292  1
  H  H199  1  1.074177  0.098737  0.660122  1
  H  H200  1  0.423277  0.155419  0.629963  1
  H  H201  1  0.747808  0.129777  0.645442  1
  H  H202  1  1.128028  0.371580  0.649050  1
  H  H203  1  0.452466  0.339503  0.663435  1
  H  H204  1  0.803703  0.399237  0.633908  1
  H  H205  1  1.007550  0.612691  0.652770  1
  H  H206  1  0.360209  0.671429  0.622776  1
  H  H207  1  0.683854  0.642533  0.637791  1
  H  H208  1  0.966454  0.883660  0.641230  1
  H  H209  1  0.289805  0.858279  0.656292  1
  H  H210  1  0.642019  0.914332  0.626445  1
  H  H211  1  0.923277  0.155419  0.629963  1
  H  H212  1  0.247808  0.129777  0.645442  1
  H  H213  1  0.574177  0.098737  0.660122  1
  H  H214  1  0.952466  0.339503  0.663435  1
  H  H215  1  0.303703  0.399237  0.633908  1
  H  H216  1  0.628028  0.371580  0.649050  1
  H  H217  1  1.151593  0.557194  0.683529  1
  H  H218  1  0.468057  0.521647  0.698433  1
  H  H219  1  0.830052  0.586187  0.667260  1
  H  H220  1  1.114705  0.828902  0.671031  1
  H  H221  1  0.438581  0.798498  0.686523  1
  H  H222  1  0.758957  0.766761  0.701795  1
  H  H223  1  1.044139  0.005304  0.705238  1
  H  H224  1  0.398485  0.068671  0.673746  1
  H  H225  1  0.727144  0.048784  0.691304  1
  H  H226  1  1.097738  0.283945  0.694650  1
  H  H227  1  0.412796  0.243273  0.709117  1
  H  H228  1  0.775446  0.322251  0.679154  1
  H  H229  1  0.968057  0.521647  0.698433  1
  H  H230  1  0.330052  0.586187  0.667260  1
  H  H231  1  0.651593  0.557194  0.683529  1
  H  H232  1  0.938581  0.798498  0.686523  1
  H  H233  1  0.258957  0.766761  0.701795  1
  H  H234  1  0.614705  0.828902  0.671031  1
  H  H235  1  0.898485  0.068671  0.673746  1
  H  H236  1  0.227144  0.048784  0.691304  1
  H  H237  1  0.544139  0.005304  0.705238  1
  H  H238  1  0.912796  0.243273  0.709117  1
  H  H239  1  0.275446  0.322251  0.679154  1
  H  H240  1  0.597738  0.283945  0.694650  1
