# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.91629735
_cell_length_b   10.26786388
_cell_length_c   46.75006668
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H288
_cell_volume   5720.10062522
_cell_formula_units_Z   144
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  0.117480  0.674042  0.296555  1
  H  H2  1  0.283414  0.744009  0.277148  1
  H  H3  1  0.116747  0.244009  0.277148  1
  H  H4  1  0.450813  0.674042  0.296555  1
  H  H5  1  0.616747  0.744009  0.277148  1
  H  H6  1  0.284147  0.174042  0.296555  1
  H  H7  1  0.450080  0.244009  0.277148  1
  H  H8  1  0.784147  0.674042  0.296555  1
  H  H9  1  0.950080  0.744009  0.277148  1
  H  H10  1  0.617480  0.174042  0.296555  1
  H  H11  1  0.783414  0.244009  0.277148  1
  H  H12  1  0.950813  0.174042  0.296555  1
  H  H13  1  0.061993  0.465811  0.285067  1
  H  H14  1  0.229666  0.389264  0.304424  1
  H  H15  1  0.062999  0.889264  0.304424  1
  H  H16  1  0.395326  0.465811  0.285067  1
  H  H17  1  0.562999  0.389264  0.304424  1
  H  H18  1  0.228659  0.965811  0.285067  1
  H  H19  1  0.396332  0.889264  0.304424  1
  H  H20  1  0.728659  0.465811  0.285067  1
  H  H21  1  0.896332  0.389264  0.304424  1
  H  H22  1  0.561993  0.965811  0.285067  1
  H  H23  1  0.729666  0.889264  0.304424  1
  H  H24  1  0.895326  0.965811  0.285067  1
  H  H25  1  0.114470  0.523486  0.333631  1
  H  H26  1  0.282143  0.598060  0.315377  1
  H  H27  1  0.115477  0.098060  0.315377  1
  H  H28  1  0.447804  0.523486  0.333631  1
  H  H29  1  0.615477  0.598060  0.315377  1
  H  H30  1  0.281137  0.023486  0.333631  1
  H  H31  1  0.448810  0.098060  0.315377  1
  H  H32  1  0.781137  0.523486  0.333631  1
  H  H33  1  0.948810  0.598060  0.315377  1
  H  H34  1  0.614470  0.023486  0.333631  1
  H  H35  1  0.782143  0.098060  0.315377  1
  H  H36  1  0.947804  0.023486  0.333631  1
  H  H37  1  0.062687  0.313817  0.323990  1
  H  H38  1  0.227962  0.238282  0.342437  1
  H  H39  1  0.061295  0.738282  0.342437  1
  H  H40  1  0.396021  0.313817  0.323990  1
  H  H41  1  0.561295  0.238282  0.342437  1
  H  H42  1  0.229354  0.813817  0.323990  1
  H  H43  1  0.394629  0.738282  0.342437  1
  H  H44  1  0.729354  0.313817  0.323990  1
  H  H45  1  0.894629  0.238282  0.342437  1
  H  H46  1  0.562687  0.813817  0.323990  1
  H  H47  1  0.727962  0.738282  0.342437  1
  H  H48  1  0.896021  0.813817  0.323990  1
  H  H49  1  0.113743  0.374506  0.370598  1
  H  H50  1  0.280499  0.448605  0.352029  1
  H  H51  1  0.113832  0.948605  0.352029  1
  H  H52  1  0.447077  0.374506  0.370598  1
  H  H53  1  0.613832  0.448605  0.352029  1
  H  H54  1  0.280410  0.874506  0.370598  1
  H  H55  1  0.447166  0.948605  0.352029  1
  H  H56  1  0.780410  0.374506  0.370598  1
  H  H57  1  0.947166  0.448605  0.352029  1
  H  H58  1  0.613743  0.874506  0.370598  1
  H  H59  1  0.780499  0.948605  0.352029  1
  H  H60  1  0.947077  0.874506  0.370598  1
  H  H61  1  0.059962  0.162994  0.361000  1
  H  H62  1  0.225772  0.088215  0.379401  1
  H  H63  1  0.059105  0.588215  0.379401  1
  H  H64  1  0.393295  0.162994  0.361000  1
  H  H65  1  0.559105  0.088215  0.379401  1
  H  H66  1  0.226629  0.662994  0.361000  1
  H  H67  1  0.392439  0.588215  0.379401  1
  H  H68  1  0.726629  0.162994  0.361000  1
  H  H69  1  0.892439  0.088215  0.379401  1
  H  H70  1  0.559962  0.662994  0.361000  1
  H  H71  1  0.725772  0.588215  0.379401  1
  H  H72  1  0.893295  0.662994  0.361000  1
  H  H73  1  0.113512  0.225695  0.407470  1
  H  H74  1  0.280263  0.300050  0.389036  1
  H  H75  1  0.113597  0.800050  0.389036  1
  H  H76  1  0.446846  0.225695  0.407470  1
  H  H77  1  0.613597  0.300050  0.389036  1
  H  H78  1  0.280179  0.725695  0.407470  1
  H  H79  1  0.446930  0.800050  0.389036  1
  H  H80  1  0.780179  0.225695  0.407470  1
  H  H81  1  0.946930  0.300050  0.389036  1
  H  H82  1  0.613512  0.725695  0.407470  1
  H  H83  1  0.780263  0.800050  0.389036  1
  H  H84  1  0.946846  0.725695  0.407470  1
  H  H85  1  0.058725  0.013640  0.397985  1
  H  H86  1  0.225083  0.939186  0.416528  1
  H  H87  1  0.058417  0.439186  0.416528  1
  H  H88  1  0.392059  0.013640  0.397985  1
  H  H89  1  0.558417  0.939186  0.416528  1
  H  H90  1  0.225392  0.513640  0.397985  1
  H  H91  1  0.391750  0.439186  0.416528  1
  H  H92  1  0.725392  0.013640  0.397985  1
  H  H93  1  0.891750  0.939186  0.416528  1
  H  H94  1  0.558725  0.513640  0.397985  1
  H  H95  1  0.725083  0.439186  0.416528  1
  H  H96  1  0.892059  0.513640  0.397985  1
  H  H97  1  0.113257  0.077045  0.444367  1
  H  H98  1  0.280039  0.151343  0.425883  1
  H  H99  1  0.113372  0.651343  0.425883  1
  H  H100  1  0.446591  0.077045  0.444367  1
  H  H101  1  0.613372  0.151343  0.425883  1
  H  H102  1  0.279924  0.577045  0.444367  1
  H  H103  1  0.446705  0.651343  0.425883  1
  H  H104  1  0.779924  0.077045  0.444367  1
  H  H105  1  0.946705  0.151343  0.425883  1
  H  H106  1  0.613257  0.577045  0.444367  1
  H  H107  1  0.780039  0.651343  0.425883  1
  H  H108  1  0.946591  0.577045  0.444367  1
  H  H109  1  0.058231  0.864654  0.435037  1
  H  H110  1  0.224768  0.790173  0.453522  1
  H  H111  1  0.058101  0.290173  0.453522  1
  H  H112  1  0.391564  0.864654  0.435037  1
  H  H113  1  0.558101  0.790173  0.453522  1
  H  H114  1  0.224898  0.364654  0.435037  1
  H  H115  1  0.391434  0.290173  0.453522  1
  H  H116  1  0.724898  0.864654  0.435037  1
  H  H117  1  0.891434  0.790173  0.453522  1
  H  H118  1  0.558231  0.364654  0.435037  1
  H  H119  1  0.724768  0.290173  0.453522  1
  H  H120  1  0.891564  0.364654  0.435037  1
  H  H121  1  0.113128  0.928313  0.481310  1
  H  H122  1  0.279853  1.002704  0.462834  1
  H  H123  1  0.113186  0.502704  0.462834  1
  H  H124  1  0.446461  0.928313  0.481310  1
  H  H125  1  0.613186  1.002704  0.462834  1
  H  H126  1  0.279794  0.428313  0.481310  1
  H  H127  1  0.446520  0.502704  0.462834  1
  H  H128  1  0.779794  0.928313  0.481310  1
  H  H129  1  0.946520  1.002704  0.462834  1
  H  H130  1  0.613128  0.428313  0.481310  1
  H  H131  1  0.779853  0.502704  0.462834  1
  H  H132  1  0.946461  0.428313  0.481310  1
  H  H133  1  0.058036  0.715736  0.472002  1
  H  H134  1  0.224637  0.641339  0.490489  1
  H  H135  1  0.057970  0.141339  0.490489  1
  H  H136  1  0.391369  0.715736  0.472002  1
  H  H137  1  0.557970  0.641339  0.490489  1
  H  H138  1  0.224702  0.215736  0.472002  1
  H  H139  1  0.391304  0.141339  0.490489  1
  H  H140  1  0.724702  0.715736  0.472002  1
  H  H141  1  0.891304  0.641339  0.490489  1
  H  H142  1  0.558036  0.215736  0.472002  1
  H  H143  1  0.724637  0.141339  0.490489  1
  H  H144  1  0.891369  0.215736  0.472002  1
  H  H145  1  0.113008  0.779520  0.518267  1
  H  H146  1  0.279740  0.853917  0.499780  1
  H  H147  1  0.113074  0.353917  0.499780  1
  H  H148  1  0.446342  0.779520  0.518267  1
  H  H149  1  0.613074  0.853917  0.499780  1
  H  H150  1  0.279675  0.279520  0.518267  1
  H  H151  1  0.446407  0.353917  0.499780  1
  H  H152  1  0.779675  0.779520  0.518267  1
  H  H153  1  0.946407  0.853917  0.499780  1
  H  H154  1  0.613008  0.279520  0.518267  1
  H  H155  1  0.779740  0.353917  0.499780  1
  H  H156  1  0.946342  0.279520  0.518267  1
  H  H157  1  0.057916  0.566943  0.508959  1
  H  H158  1  0.224524  0.492552  0.527435  1
  H  H159  1  0.057858  0.992552  0.527435  1
  H  H160  1  0.391250  0.566943  0.508959  1
  H  H161  1  0.557858  0.492552  0.527435  1
  H  H162  1  0.224583  0.066943  0.508959  1
  H  H163  1  0.391191  0.992552  0.527435  1
  H  H164  1  0.724583  0.566943  0.508959  1
  H  H165  1  0.891191  0.492552  0.527435  1
  H  H166  1  0.557916  0.066943  0.508959  1
  H  H167  1  0.724524  0.992552  0.527435  1
  H  H168  1  0.891250  0.066943  0.508959  1
  H  H169  1  0.112813  0.630602  0.555232  1
  H  H170  1  0.279610  0.705083  0.536746  1
  H  H171  1  0.112943  0.205083  0.536746  1
  H  H172  1  0.446146  0.630602  0.555232  1
  H  H173  1  0.612943  0.705083  0.536746  1
  H  H174  1  0.279480  0.130602  0.555232  1
  H  H175  1  0.446276  0.205083  0.536746  1
  H  H176  1  0.779480  0.630602  0.555232  1
  H  H177  1  0.946276  0.705083  0.536746  1
  H  H178  1  0.612813  0.130602  0.555232  1
  H  H179  1  0.779610  0.205083  0.536746  1
  H  H180  1  0.946146  0.130602  0.555232  1
  H  H181  1  0.057787  0.418210  0.545901  1
  H  H182  1  0.224339  0.343912  0.564386  1
  H  H183  1  0.057672  0.843912  0.564386  1
  H  H184  1  0.391120  0.418210  0.545901  1
  H  H185  1  0.557672  0.343912  0.564386  1
  H  H186  1  0.224453  0.918210  0.545901  1
  H  H187  1  0.391005  0.843912  0.564386  1
  H  H188  1  0.724453  0.418210  0.545901  1
  H  H189  1  0.891005  0.343912  0.564386  1
  H  H190  1  0.557787  0.918210  0.545901  1
  H  H191  1  0.724339  0.843912  0.564386  1
  H  H192  1  0.891120  0.918210  0.545901  1
  H  H193  1  0.112319  0.481616  0.592283  1
  H  H194  1  0.279294  0.556070  0.573741  1
  H  H195  1  0.112627  0.056070  0.573741  1
  H  H196  1  0.445652  0.481616  0.592283  1
  H  H197  1  0.612627  0.556070  0.573741  1
  H  H198  1  0.278985  0.981616  0.592283  1
  H  H199  1  0.445961  0.056070  0.573741  1
  H  H200  1  0.778985  0.481616  0.592283  1
  H  H201  1  0.945961  0.556070  0.573741  1
  H  H202  1  0.612319  0.981616  0.592283  1
  H  H203  1  0.779294  0.056070  0.573741  1
  H  H204  1  0.945652  0.981616  0.592283  1
  H  H205  1  0.057532  0.269561  0.582799  1
  H  H206  1  0.224114  0.195206  0.601233  1
  H  H207  1  0.057447  0.695206  0.601233  1
  H  H208  1  0.390865  0.269561  0.582799  1
  H  H209  1  0.557447  0.195206  0.601233  1
  H  H210  1  0.224198  0.769561  0.582799  1
  H  H211  1  0.390781  0.695206  0.601233  1
  H  H212  1  0.724198  0.269561  0.582799  1
  H  H213  1  0.890781  0.195206  0.601233  1
  H  H214  1  0.557532  0.769561  0.582799  1
  H  H215  1  0.724114  0.695206  0.601233  1
  H  H216  1  0.890865  0.769561  0.582799  1
  H  H217  1  0.111082  0.332262  0.629269  1
  H  H218  1  0.278605  0.407041  0.610867  1
  H  H219  1  0.111939  0.907041  0.610867  1
  H  H220  1  0.444415  0.332262  0.629269  1
  H  H221  1  0.611939  0.407041  0.610867  1
  H  H222  1  0.277749  0.832262  0.629269  1
  H  H223  1  0.445272  0.907041  0.610867  1
  H  H224  1  0.777749  0.332262  0.629269  1
  H  H225  1  0.945272  0.407041  0.610867  1
  H  H226  1  0.611082  0.832262  0.629269  1
  H  H227  1  0.778605  0.907041  0.610867  1
  H  H228  1  0.944415  0.832262  0.629269  1
  H  H229  1  0.057301  0.120750  0.619671  1
  H  H230  1  0.223878  0.046650  0.638240  1
  H  H231  1  0.057212  0.546650  0.638240  1
  H  H232  1  0.390634  0.120750  0.619671  1
  H  H233  1  0.557212  0.046650  0.638240  1
  H  H234  1  0.223967  0.620750  0.619671  1
  H  H235  1  0.390545  0.546650  0.638240  1
  H  H236  1  0.723967  0.120750  0.619671  1
  H  H237  1  0.890545  0.046650  0.638240  1
  H  H238  1  0.557301  0.620750  0.619671  1
  H  H239  1  0.723878  0.546650  0.638240  1
  H  H240  1  0.890634  0.620750  0.619671  1
  H  H241  1  0.108357  0.181439  0.666278  1
  H  H242  1  0.276415  0.256974  0.647832  1
  H  H243  1  0.109749  0.756974  0.647832  1
  H  H244  1  0.441690  0.181439  0.666278  1
  H  H245  1  0.609749  0.256974  0.647832  1
  H  H246  1  0.275023  0.681439  0.666278  1
  H  H247  1  0.443082  0.756974  0.647832  1
  H  H248  1  0.775023  0.181439  0.666278  1
  H  H249  1  0.943082  0.256974  0.647832  1
  H  H250  1  0.608357  0.681439  0.666278  1
  H  H251  1  0.776415  0.756974  0.647832  1
  H  H252  1  0.941690  0.681439  0.666278  1
  H  H253  1  0.056574  0.971769  0.656638  1
  H  H254  1  0.222234  0.897196  0.674891  1
  H  H255  1  0.055567  0.397196  0.674891  1
  H  H256  1  0.389907  0.971769  0.656638  1
  H  H257  1  0.555567  0.897196  0.674891  1
  H  H258  1  0.223240  0.471769  0.656638  1
  H  H259  1  0.388901  0.397196  0.674891  1
  H  H260  1  0.723240  0.971769  0.656638  1
  H  H261  1  0.888901  0.897196  0.674891  1
  H  H262  1  0.556574  0.471769  0.656638  1
  H  H263  1  0.722234  0.397196  0.674891  1
  H  H264  1  0.889907  0.471769  0.656638  1
  H  H265  1  0.109051  0.029445  0.705201  1
  H  H266  1  0.274712  0.105992  0.685845  1
  H  H267  1  0.108045  0.605992  0.685845  1
  H  H268  1  0.442385  0.029445  0.705201  1
  H  H269  1  0.608045  0.105992  0.685845  1
  H  H270  1  0.275718  0.529445  0.705201  1
  H  H271  1  0.441378  0.605992  0.685845  1
  H  H272  1  0.775718  0.029445  0.705201  1
  H  H273  1  0.941378  0.105992  0.685845  1
  H  H274  1  0.609051  0.529445  0.705201  1
  H  H275  1  0.774712  0.605992  0.685845  1
  H  H276  1  0.942385  0.529445  0.705201  1
  H  H277  1  0.053564  0.821214  0.693714  1
  H  H278  1  0.220964  0.751247  0.713121  1
  H  H279  1  0.054297  0.251247  0.713121  1
  H  H280  1  0.386897  0.821214  0.693714  1
  H  H281  1  0.554297  0.751247  0.713121  1
  H  H282  1  0.220231  0.321214  0.693714  1
  H  H283  1  0.387630  0.251247  0.713121  1
  H  H284  1  0.720231  0.821214  0.693714  1
  H  H285  1  0.887630  0.751247  0.713121  1
  H  H286  1  0.553564  0.321214  0.693714  1
  H  H287  1  0.720964  0.251247  0.713121  1
  H  H288  1  0.886897  0.321214  0.693714  1
