# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67385630
_cell_length_b   8.57200751
_cell_length_c   46.92996793
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.76038227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   4218.42018345
_cell_formula_units_Z   126
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  0.949400  0.130792  0.289813  1
  H  H2  1  0.616067  0.130792  0.289813  1
  H  H3  1  0.666716  0.043817  0.301255  1
  H  H4  1  0.573259  0.704301  0.280141  1
  H  H5  1  0.282733  0.130792  0.289813  1
  H  H6  1  0.333383  0.043817  0.301255  1
  H  H7  1  0.239925  0.704301  0.280141  1
  H  H8  1  0.282733  0.630792  0.289813  1
  H  H9  1  0.333383  0.543817  0.301255  1
  H  H10  1  1.000049  0.043817  0.301255  1
  H  H11  1  0.906592  0.704301  0.280141  1
  H  H12  1  0.949400  0.630792  0.289813  1
  H  H13  1  1.000049  0.543817  0.301255  1
  H  H14  1  0.906592  0.204301  0.280141  1
  H  H15  1  0.616067  0.630792  0.289813  1
  H  H16  1  0.666716  0.543817  0.301255  1
  H  H17  1  0.573259  0.204301  0.280141  1
  H  H18  1  0.239925  0.204301  0.280141  1
  H  H19  1  0.094671  0.381334  0.322632  1
  H  H20  1  0.761337  0.381334  0.322632  1
  H  H21  1  0.808680  0.300037  0.333328  1
  H  H22  1  0.713161  0.964062  0.311748  1
  H  H23  1  0.428004  0.381334  0.322632  1
  H  H24  1  0.475346  0.300037  0.333328  1
  H  H25  1  0.379827  0.964062  0.311748  1
  H  H26  1  0.428004  0.881334  0.322632  1
  H  H27  1  0.475346  0.800037  0.333328  1
  H  H28  1  0.142013  0.300037  0.333328  1
  H  H29  1  0.046494  0.964062  0.311748  1
  H  H30  1  0.094671  0.881334  0.322632  1
  H  H31  1  0.142013  0.800037  0.333328  1
  H  H32  1  0.046494  0.464062  0.311748  1
  H  H33  1  0.761337  0.881334  0.322632  1
  H  H34  1  0.808680  0.800037  0.333328  1
  H  H35  1  0.713161  0.464062  0.311748  1
  H  H36  1  0.379827  0.464062  0.311748  1
  H  H37  1  0.237278  0.636448  0.354850  1
  H  H38  1  0.903945  0.636448  0.354850  1
  H  H39  1  0.951571  0.554665  0.365610  1
  H  H40  1  0.856401  0.218090  0.344109  1
  H  H41  1  0.570612  0.636448  0.354850  1
  H  H42  1  0.618238  0.554665  0.365610  1
  H  H43  1  0.523068  0.218090  0.344109  1
  H  H44  1  0.570612  0.136448  0.354850  1
  H  H45  1  0.618238  0.054665  0.365610  1
  H  H46  1  0.284904  0.554665  0.365610  1
  H  H47  1  0.189734  0.218090  0.344109  1
  H  H48  1  0.237278  0.136448  0.354850  1
  H  H49  1  0.284904  0.054665  0.365610  1
  H  H50  1  0.189734  0.718090  0.344109  1
  H  H51  1  0.903945  0.136448  0.354850  1
  H  H52  1  0.951571  0.054665  0.365610  1
  H  H53  1  0.856401  0.718090  0.344109  1
  H  H54  1  0.523068  0.718090  0.344109  1
  H  H55  1  0.380098  0.891199  0.387116  1
  H  H56  1  0.046764  0.891199  0.387116  1
  H  H57  1  0.094362  0.809465  0.397869  1
  H  H58  1  0.999159  0.472947  0.376361  1
  H  H59  1  0.713431  0.891199  0.387116  1
  H  H60  1  0.761028  0.809465  0.397869  1
  H  H61  1  0.665825  0.472947  0.376361  1
  H  H62  1  0.713431  0.391199  0.387116  1
  H  H63  1  0.761028  0.309465  0.397869  1
  H  H64  1  0.427695  0.809465  0.397869  1
  H  H65  1  0.332492  0.472947  0.376361  1
  H  H66  1  0.380098  0.391199  0.387116  1
  H  H67  1  0.427695  0.309465  0.397869  1
  H  H68  1  0.332492  0.972947  0.376361  1
  H  H69  1  0.046764  0.391199  0.387116  1
  H  H70  1  0.094362  0.309465  0.397869  1
  H  H71  1  0.999159  0.972947  0.376361  1
  H  H72  1  0.665825  0.972947  0.376361  1
  H  H73  1  0.522895  0.145987  0.419377  1
  H  H74  1  0.189562  0.145987  0.419377  1
  H  H75  1  0.237162  0.064248  0.430131  1
  H  H76  1  0.141963  0.727725  0.408623  1
  H  H77  1  0.856229  0.145987  0.419377  1
  H  H78  1  0.903829  0.064248  0.430131  1
  H  H79  1  0.808629  0.727725  0.408623  1
  H  H80  1  0.856229  0.645987  0.419377  1
  H  H81  1  0.903829  0.564248  0.430131  1
  H  H82  1  0.570495  0.064248  0.430131  1
  H  H83  1  0.475296  0.727725  0.408623  1
  H  H84  1  0.522895  0.645987  0.419377  1
  H  H85  1  0.570495  0.564248  0.430131  1
  H  H86  1  0.475296  0.227725  0.408623  1
  H  H87  1  0.189562  0.645987  0.419377  1
  H  H88  1  0.237162  0.564248  0.430131  1
  H  H89  1  0.141963  0.227725  0.408623  1
  H  H90  1  0.808629  0.227725  0.408623  1
  H  H91  1  0.665695  0.400772  0.451638  1
  H  H92  1  0.332362  0.400772  0.451638  1
  H  H93  1  0.379962  0.319033  0.462392  1
  H  H94  1  0.284762  0.982510  0.440885  1
  H  H95  1  0.999028  0.400772  0.451638  1
  H  H96  1  0.046628  0.319033  0.462392  1
  H  H97  1  0.951429  0.982510  0.440885  1
  H  H98  1  0.999028  0.900772  0.451638  1
  H  H99  1  0.046628  0.819033  0.462392  1
  H  H100  1  0.713295  0.319033  0.462392  1
  H  H101  1  0.618095  0.982510  0.440885  1
  H  H102  1  0.665695  0.900772  0.451638  1
  H  H103  1  0.713295  0.819033  0.462392  1
  H  H104  1  0.618095  0.482510  0.440885  1
  H  H105  1  0.332362  0.900772  0.451638  1
  H  H106  1  0.379962  0.819033  0.462392  1
  H  H107  1  0.284762  0.482510  0.440885  1
  H  H108  1  0.951429  0.482510  0.440885  1
  H  H109  1  0.808495  0.655557  0.483900  1
  H  H110  1  0.475161  0.655557  0.483900  1
  H  H111  1  0.522761  0.573818  0.494654  1
  H  H112  1  0.427562  0.237295  0.473146  1
  H  H113  1  0.141828  0.655557  0.483900  1
  H  H114  1  0.189428  0.573818  0.494654  1
  H  H115  1  0.094228  0.237295  0.473146  1
  H  H116  1  0.141828  0.155557  0.483900  1
  H  H117  1  0.189428  0.073818  0.494654  1
  H  H118  1  0.856095  0.573818  0.494654  1
  H  H119  1  0.760895  0.237295  0.473146  1
  H  H120  1  0.808495  0.155557  0.483900  1
  H  H121  1  0.856095  0.073818  0.494654  1
  H  H122  1  0.760895  0.737295  0.473146  1
  H  H123  1  0.475161  0.155557  0.483900  1
  H  H124  1  0.522761  0.073818  0.494654  1
  H  H125  1  0.427562  0.737295  0.473146  1
  H  H126  1  0.094228  0.737295  0.473146  1
  H  H127  1  0.951294  0.910341  0.516161  1
  H  H128  1  0.617961  0.910341  0.516161  1
  H  H129  1  0.665561  0.828603  0.526915  1
  H  H130  1  0.570361  0.492080  0.505407  1
  H  H131  1  0.284628  0.910341  0.516161  1
  H  H132  1  0.332228  0.828603  0.526915  1
  H  H133  1  0.237028  0.492080  0.505407  1
  H  H134  1  0.284628  0.410341  0.516161  1
  H  H135  1  0.332228  0.328603  0.526915  1
  H  H136  1  0.998894  0.828603  0.526915  1
  H  H137  1  0.903695  0.492080  0.505407  1
  H  H138  1  0.951294  0.410341  0.516161  1
  H  H139  1  0.998894  0.328603  0.526915  1
  H  H140  1  0.903695  0.992080  0.505407  1
  H  H141  1  0.617961  0.410341  0.516161  1
  H  H142  1  0.665561  0.328603  0.526915  1
  H  H143  1  0.570361  0.992080  0.505407  1
  H  H144  1  0.237028  0.992080  0.505407  1
  H  H145  1  0.094094  0.165126  0.548423  1
  H  H146  1  0.760761  0.165126  0.548423  1
  H  H147  1  0.808361  0.083388  0.559176  1
  H  H148  1  0.713161  0.746865  0.537669  1
  H  H149  1  0.427427  0.165126  0.548423  1
  H  H150  1  0.475027  0.083388  0.559176  1
  H  H151  1  0.379827  0.746865  0.537669  1
  H  H152  1  0.427427  0.665126  0.548423  1
  H  H153  1  0.475027  0.583388  0.559176  1
  H  H154  1  0.141694  0.083388  0.559176  1
  H  H155  1  0.046494  0.746865  0.537669  1
  H  H156  1  0.094094  0.665126  0.548423  1
  H  H157  1  0.141694  0.583388  0.559176  1
  H  H158  1  0.046494  0.246865  0.537669  1
  H  H159  1  0.760761  0.665126  0.548423  1
  H  H160  1  0.808361  0.583388  0.559176  1
  H  H161  1  0.713161  0.246865  0.537669  1
  H  H162  1  0.379827  0.246865  0.537669  1
  H  H163  1  0.236894  0.419911  0.580684  1
  H  H164  1  0.903561  0.419911  0.580684  1
  H  H165  1  0.951160  0.338173  0.591438  1
  H  H166  1  0.855960  0.001650  0.569930  1
  H  H167  1  0.570227  0.419911  0.580684  1
  H  H168  1  0.617826  0.338173  0.591438  1
  H  H169  1  0.522627  0.001650  0.569930  1
  H  H170  1  0.570227  0.919911  0.580684  1
  H  H171  1  0.617826  0.838173  0.591438  1
  H  H172  1  0.284493  0.338173  0.591438  1
  H  H173  1  0.189294  0.001650  0.569930  1
  H  H174  1  0.236894  0.919911  0.580684  1
  H  H175  1  0.284493  0.838173  0.591438  1
  H  H176  1  0.189294  0.501650  0.569930  1
  H  H177  1  0.903561  0.919911  0.580684  1
  H  H178  1  0.951160  0.838173  0.591438  1
  H  H179  1  0.855960  0.501650  0.569930  1
  H  H180  1  0.522627  0.501650  0.569930  1
  H  H181  1  0.379692  0.674699  0.612945  1
  H  H182  1  0.046358  0.674699  0.612945  1
  H  H183  1  0.093964  0.592951  0.623700  1
  H  H184  1  0.998761  0.256433  0.602192  1
  H  H185  1  0.713025  0.674699  0.612945  1
  H  H186  1  0.760630  0.592951  0.623700  1
  H  H187  1  0.665428  0.256433  0.602192  1
  H  H188  1  0.713025  0.174699  0.612945  1
  H  H189  1  0.760630  0.092951  0.623700  1
  H  H190  1  0.427297  0.592951  0.623700  1
  H  H191  1  0.332094  0.256433  0.602192  1
  H  H192  1  0.379692  0.174699  0.612945  1
  H  H193  1  0.427297  0.092951  0.623700  1
  H  H194  1  0.332094  0.756433  0.602192  1
  H  H195  1  0.046358  0.174699  0.612945  1
  H  H196  1  0.093964  0.092951  0.623700  1
  H  H197  1  0.998761  0.756433  0.602192  1
  H  H198  1  0.665428  0.756433  0.602192  1
  H  H199  1  0.522511  0.929450  0.645211  1
  H  H200  1  0.189177  0.929450  0.645211  1
  H  H201  1  0.236721  0.847808  0.655952  1
  H  H202  1  0.141551  0.511233  0.634451  1
  H  H203  1  0.855844  0.929450  0.645211  1
  H  H204  1  0.903388  0.847808  0.655952  1
  H  H205  1  0.808218  0.511233  0.634451  1
  H  H206  1  0.855844  0.429450  0.645211  1
  H  H207  1  0.903388  0.347808  0.655952  1
  H  H208  1  0.570055  0.847808  0.655952  1
  H  H209  1  0.474885  0.511233  0.634451  1
  H  H210  1  0.522511  0.429450  0.645211  1
  H  H211  1  0.570055  0.347808  0.655952  1
  H  H212  1  0.474885  0.011233  0.634451  1
  H  H213  1  0.189177  0.429450  0.645211  1
  H  H214  1  0.236721  0.347808  0.655952  1
  H  H215  1  0.141551  0.011233  0.634451  1
  H  H216  1  0.808218  0.011233  0.634451  1
  H  H217  1  0.665119  0.184564  0.677429  1
  H  H218  1  0.331785  0.184564  0.677429  1
  H  H219  1  0.379962  0.101836  0.688313  1
  H  H220  1  0.284443  0.765861  0.666733  1
  H  H221  1  0.998452  0.184564  0.677429  1
  H  H222  1  0.046628  0.101836  0.688313  1
  H  H223  1  0.951109  0.765861  0.666733  1
  H  H224  1  0.998452  0.684564  0.677429  1
  H  H225  1  0.046628  0.601836  0.688313  1
  H  H226  1  0.713295  0.101836  0.688313  1
  H  H227  1  0.617776  0.765861  0.666733  1
  H  H228  1  0.665119  0.684564  0.677429  1
  H  H229  1  0.713295  0.601836  0.688313  1
  H  H230  1  0.617776  0.265861  0.666733  1
  H  H231  1  0.331785  0.684564  0.677429  1
  H  H232  1  0.379962  0.601836  0.688313  1
  H  H233  1  0.284443  0.265861  0.666733  1
  H  H234  1  0.951109  0.265861  0.666733  1
  H  H235  1  0.810389  0.435106  0.710248  1
  H  H236  1  0.477056  0.435106  0.710248  1
  H  H237  1  0.519864  0.361596  0.719920  1
  H  H238  1  0.426407  0.022081  0.698806  1
  H  H239  1  0.143723  0.435106  0.710248  1
  H  H240  1  0.186530  0.361596  0.719920  1
  H  H241  1  0.093073  0.022081  0.698806  1
  H  H242  1  0.143723  0.935106  0.710248  1
  H  H243  1  0.186530  0.861596  0.719920  1
  H  H244  1  0.853197  0.361596  0.719920  1
  H  H245  1  0.759740  0.022081  0.698806  1
  H  H246  1  0.810389  0.935106  0.710248  1
  H  H247  1  0.853197  0.861596  0.719920  1
  H  H248  1  0.759740  0.522081  0.698806  1
  H  H249  1  0.477056  0.935106  0.710248  1
  H  H250  1  0.519864  0.861596  0.719920  1
  H  H251  1  0.426407  0.522081  0.698806  1
  H  H252  1  0.093073  0.522081  0.698806  1
