# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22075583
_cell_length_b   11.71937254
_cell_length_c   45.90107943
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H240
_cell_volume   4562.6635693
_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  0.121559  0.213761  0.303459  1
  H  H2  1  0.621559  0.213761  0.303459  1
  H  H3  1  0.184000  0.588822  0.290483  1
  H  H4  1  0.243884  0.968728  0.276053  1
  H  H5  1  0.684000  0.588822  0.290483  1
  H  H6  1  0.743884  0.968728  0.276053  1
  H  H7  1  0.334288  0.038467  0.315727  1
  H  H8  1  0.834288  0.038467  0.315727  1
  H  H9  1  0.402381  0.402127  0.297756  1
  H  H10  1  0.465277  0.776068  0.282847  1
  H  H11  1  0.902381  0.402127  0.297756  1
  H  H12  1  0.965277  0.776068  0.282847  1
  H  H13  1  0.084288  0.038467  0.315727  1
  H  H14  1  0.584288  0.038467  0.315727  1
  H  H15  1  0.152381  0.402127  0.297756  1
  H  H16  1  0.215277  0.776068  0.282847  1
  H  H17  1  0.652381  0.402127  0.297756  1
  H  H18  1  0.715277  0.776068  0.282847  1
  H  H19  1  0.371559  0.213761  0.303459  1
  H  H20  1  0.871559  0.213761  0.303459  1
  H  H21  1  0.434000  0.588822  0.290483  1
  H  H22  1  0.493884  0.968728  0.276053  1
  H  H23  1  0.934000  0.588822  0.290483  1
  H  H24  1  0.993884  0.968728  0.276053  1
  H  H25  1  0.912924  0.131470  0.352232  1
  H  H26  1  0.412924  0.131470  0.352232  1
  H  H27  1  0.981476  0.494348  0.336307  1
  H  H28  1  0.049757  0.857678  0.321922  1
  H  H29  1  0.481476  0.494348  0.336307  1
  H  H30  1  0.549757  0.857678  0.321922  1
  H  H31  1  0.129812  0.947800  0.360027  1
  H  H32  1  0.629812  0.947800  0.360027  1
  H  H33  1  0.198456  0.310340  0.342975  1
  H  H34  1  0.265245  0.676833  0.329053  1
  H  H35  1  0.698456  0.310340  0.342975  1
  H  H36  1  0.765245  0.676833  0.329053  1
  H  H37  1  0.879812  0.947800  0.360027  1
  H  H38  1  0.379812  0.947800  0.360027  1
  H  H39  1  0.948456  0.310340  0.342975  1
  H  H40  1  0.015245  0.676833  0.329053  1
  H  H41  1  0.448456  0.310340  0.342975  1
  H  H42  1  0.515245  0.676833  0.329053  1
  H  H43  1  0.162924  0.131470  0.352232  1
  H  H44  1  0.662924  0.131470  0.352232  1
  H  H45  1  0.231476  0.494348  0.336307  1
  H  H46  1  0.299757  0.857678  0.321922  1
  H  H47  1  0.731476  0.494348  0.336307  1
  H  H48  1  0.799757  0.857678  0.321922  1
  H  H49  1  0.708893  0.039712  0.397463  1
  H  H50  1  0.208893  0.039712  0.397463  1
  H  H51  1  0.777442  0.402500  0.381300  1
  H  H52  1  0.845637  0.766141  0.367018  1
  H  H53  1  0.277442  0.402500  0.381300  1
  H  H54  1  0.345637  0.766141  0.367018  1
  H  H55  1  0.925217  0.857044  0.405008  1
  H  H56  1  0.425217  0.857044  0.405008  1
  H  H57  1  0.992698  0.222057  0.389542  1
  H  H58  1  0.061299  0.584795  0.374266  1
  H  H59  1  0.492698  0.222057  0.389542  1
  H  H60  1  0.561299  0.584795  0.374266  1
  H  H61  1  0.675217  0.857044  0.405008  1
  H  H62  1  0.175217  0.857044  0.405008  1
  H  H63  1  0.742698  0.222057  0.389542  1
  H  H64  1  0.811299  0.584795  0.374266  1
  H  H65  1  0.242698  0.222057  0.389542  1
  H  H66  1  0.311299  0.584795  0.374266  1
  H  H67  1  0.958893  0.039712  0.397463  1
  H  H68  1  0.458893  0.039712  0.397463  1
  H  H69  1  0.027442  0.402500  0.381300  1
  H  H70  1  0.095637  0.766141  0.367018  1
  H  H71  1  0.527442  0.402500  0.381300  1
  H  H72  1  0.595637  0.766141  0.367018  1
  H  H73  1  0.504624  0.948327  0.442737  1
  H  H74  1  0.004624  0.948327  0.442737  1
  H  H75  1  0.572613  0.312308  0.427297  1
  H  H76  1  0.641147  0.675181  0.412303  1
  H  H77  1  0.072613  0.312308  0.427297  1
  H  H78  1  0.141147  0.675181  0.412303  1
  H  H79  1  0.720708  0.766164  0.450250  1
  H  H80  1  0.220708  0.766164  0.450250  1
  H  H81  1  0.788515  0.130543  0.435084  1
  H  H82  1  0.857072  0.493347  0.419550  1
  H  H83  1  0.288515  0.130543  0.435084  1
  H  H84  1  0.357072  0.493347  0.419550  1
  H  H85  1  0.470708  0.766164  0.450250  1
  H  H86  1  0.970708  0.766164  0.450250  1
  H  H87  1  0.538515  0.130543  0.435084  1
  H  H88  1  0.607072  0.493347  0.419550  1
  H  H89  1  0.038515  0.130543  0.435084  1
  H  H90  1  0.107072  0.493347  0.419550  1
  H  H91  1  0.754624  0.948327  0.442737  1
  H  H92  1  0.254624  0.948327  0.442737  1
  H  H93  1  0.822613  0.312308  0.427297  1
  H  H94  1  0.891147  0.675181  0.412303  1
  H  H95  1  0.322613  0.312308  0.427297  1
  H  H96  1  0.391147  0.675181  0.412303  1
  H  H97  1  0.300267  0.857141  0.488090  1
  H  H98  1  0.800267  0.857141  0.488090  1
  H  H99  1  0.368258  0.221137  0.472844  1
  H  H100  1  0.436650  0.584295  0.457634  1
  H  H101  1  0.868258  0.221137  0.472844  1
  H  H102  1  0.936650  0.584295  0.457634  1
  H  H103  1  0.516198  0.675297  0.495615  1
  H  H104  1  0.016198  0.675297  0.495615  1
  H  H105  1  0.584256  0.039152  0.480490  1
  H  H106  1  0.652387  0.402851  0.465203  1
  H  H107  1  0.084256  0.039152  0.480490  1
  H  H108  1  0.152387  0.402851  0.465203  1
  H  H109  1  0.266198  0.675297  0.495615  1
  H  H110  1  0.766198  0.675297  0.495615  1
  H  H111  1  0.334256  0.039152  0.480490  1
  H  H112  1  0.402387  0.402851  0.465203  1
  H  H113  1  0.834256  0.039152  0.480490  1
  H  H114  1  0.902387  0.402851  0.465203  1
  H  H115  1  0.550267  0.857141  0.488090  1
  H  H116  1  0.050267  0.857141  0.488090  1
  H  H117  1  0.618258  0.221137  0.472844  1
  H  H118  1  0.686650  0.584295  0.457634  1
  H  H119  1  0.118258  0.221137  0.472844  1
  H  H120  1  0.186650  0.584295  0.457634  1
  H  H121  1  0.095817  0.766155  0.533548  1
  H  H122  1  0.595817  0.766155  0.533548  1
  H  H123  1  0.163947  0.129855  0.518261  1
  H  H124  1  0.232005  0.493709  0.503136  1
  H  H125  1  0.663947  0.129855  0.518261  1
  H  H126  1  0.732005  0.493709  0.503136  1
  H  H127  1  0.311553  0.584712  0.541117  1
  H  H128  1  0.811553  0.584712  0.541117  1
  H  H129  1  0.379945  0.947869  0.525907  1
  H  H130  1  0.447936  0.311866  0.510661  1
  H  H131  1  0.879945  0.947869  0.525907  1
  H  H132  1  0.947936  0.311866  0.510661  1
  H  H133  1  0.061553  0.584712  0.541117  1
  H  H134  1  0.561553  0.584712  0.541117  1
  H  H135  1  0.129945  0.947869  0.525907  1
  H  H136  1  0.197936  0.311866  0.510661  1
  H  H137  1  0.629945  0.947869  0.525907  1
  H  H138  1  0.697936  0.311866  0.510661  1
  H  H139  1  0.345817  0.766155  0.533548  1
  H  H140  1  0.845817  0.766155  0.533548  1
  H  H141  1  0.413947  0.129855  0.518261  1
  H  H142  1  0.482005  0.493709  0.503136  1
  H  H143  1  0.913947  0.129855  0.518261  1
  H  H144  1  0.982005  0.493709  0.503136  1
  H  H145  1  0.891131  0.675659  0.579201  1
  H  H146  1  0.391131  0.675659  0.579201  1
  H  H147  1  0.959688  0.038464  0.563668  1
  H  H148  1  0.027495  0.402842  0.548502  1
  H  H149  1  0.459688  0.038464  0.563668  1
  H  H150  1  0.527495  0.402842  0.548502  1
  H  H151  1  0.107056  0.493826  0.586448  1
  H  H152  1  0.607056  0.493826  0.586448  1
  H  H153  1  0.175590  0.856698  0.571455  1
  H  H154  1  0.243579  0.220679  0.556014  1
  H  H155  1  0.675590  0.856698  0.571455  1
  H  H156  1  0.743579  0.220679  0.556014  1
  H  H157  1  0.857056  0.493826  0.586448  1
  H  H158  1  0.357056  0.493826  0.586448  1
  H  H159  1  0.925590  0.856698  0.571455  1
  H  H160  1  0.993579  0.220679  0.556014  1
  H  H161  1  0.425590  0.856698  0.571455  1
  H  H162  1  0.493579  0.220679  0.556014  1
  H  H163  1  0.141131  0.675659  0.579201  1
  H  H164  1  0.641131  0.675659  0.579201  1
  H  H165  1  0.209688  0.038464  0.563668  1
  H  H166  1  0.277495  0.402842  0.548502  1
  H  H167  1  0.709688  0.038464  0.563668  1
  H  H168  1  0.777495  0.402842  0.548502  1
  H  H169  1  0.686904  0.584212  0.624485  1
  H  H170  1  0.186904  0.584212  0.624485  1
  H  H171  1  0.755505  0.946950  0.609209  1
  H  H172  1  0.822986  0.311963  0.593743  1
  H  H173  1  0.255505  0.946950  0.609209  1
  H  H174  1  0.322986  0.311963  0.593743  1
  H  H175  1  0.902566  0.402866  0.631733  1
  H  H176  1  0.402566  0.402866  0.631733  1
  H  H177  1  0.970761  0.766506  0.617452  1
  H  H178  1  0.039310  0.129294  0.601288  1
  H  H179  1  0.470761  0.766506  0.617452  1
  H  H180  1  0.539310  0.129294  0.601288  1
  H  H181  1  0.652566  0.402866  0.631733  1
  H  H182  1  0.152566  0.402866  0.631733  1
  H  H183  1  0.720761  0.766506  0.617452  1
  H  H184  1  0.789310  0.129294  0.601288  1
  H  H185  1  0.220761  0.766506  0.617452  1
  H  H186  1  0.289310  0.129294  0.601288  1
  H  H187  1  0.936904  0.584212  0.624485  1
  H  H188  1  0.436904  0.584212  0.624485  1
  H  H189  1  0.005505  0.946950  0.609209  1
  H  H190  1  0.072986  0.311963  0.593743  1
  H  H191  1  0.505505  0.946950  0.609209  1
  H  H192  1  0.572986  0.311963  0.593743  1
  H  H193  1  0.482958  0.492173  0.669699  1
  H  H194  1  0.982958  0.492173  0.669699  1
  H  H195  1  0.549747  0.858666  0.655776  1
  H  H196  1  0.618391  0.221206  0.638724  1
  H  H197  1  0.049747  0.858666  0.655776  1
  H  H198  1  0.118391  0.221206  0.638724  1
  H  H199  1  0.698446  0.311329  0.676830  1
  H  H200  1  0.198446  0.311329  0.676830  1
  H  H201  1  0.766727  0.674659  0.662444  1
  H  H202  1  0.835279  0.037537  0.646519  1
  H  H203  1  0.266727  0.674659  0.662444  1
  H  H204  1  0.335279  0.037537  0.646519  1
  H  H205  1  0.448446  0.311329  0.676830  1
  H  H206  1  0.948446  0.311329  0.676830  1
  H  H207  1  0.516727  0.674659  0.662444  1
  H  H208  1  0.585279  0.037537  0.646519  1
  H  H209  1  0.016727  0.674659  0.662444  1
  H  H210  1  0.085279  0.037537  0.646519  1
  H  H211  1  0.732958  0.492173  0.669699  1
  H  H212  1  0.232958  0.492173  0.669699  1
  H  H213  1  0.799747  0.858666  0.655776  1
  H  H214  1  0.868391  0.221206  0.638724  1
  H  H215  1  0.299747  0.858666  0.655776  1
  H  H216  1  0.368391  0.221206  0.638724  1
  H  H217  1  0.282926  0.392939  0.715905  1
  H  H218  1  0.782926  0.392939  0.715905  1
  H  H219  1  0.345822  0.766880  0.700996  1
  H  H220  1  0.413915  0.130540  0.683024  1
  H  H221  1  0.845822  0.766880  0.700996  1
  H  H222  1  0.913915  0.130540  0.683024  1
  H  H223  1  0.504319  0.200279  0.722698  1
  H  H224  1  0.004319  0.200279  0.722698  1
  H  H225  1  0.564203  0.580185  0.708268  1
  H  H226  1  0.626644  0.955245  0.695292  1
  H  H227  1  0.064203  0.580185  0.708268  1
  H  H228  1  0.126644  0.955245  0.695292  1
  H  H229  1  0.254319  0.200279  0.722698  1
  H  H230  1  0.754319  0.200279  0.722698  1
  H  H231  1  0.314203  0.580185  0.708268  1
  H  H232  1  0.376644  0.955245  0.695292  1
  H  H233  1  0.814203  0.580185  0.708268  1
  H  H234  1  0.876644  0.955245  0.695292  1
  H  H235  1  0.532926  0.392939  0.715905  1
  H  H236  1  0.032926  0.392939  0.715905  1
  H  H237  1  0.595822  0.766880  0.700996  1
  H  H238  1  0.663915  0.130540  0.683024  1
  H  H239  1  0.095822  0.766880  0.700996  1
  H  H240  1  0.163915  0.130540  0.683024  1
