# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98853959
_cell_length_b   12.53723000
_cell_length_c   77.92454371
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4798.02913706
_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  1.217444  0.509402  0.102628  1
  H  H2  1  0.752627  0.325544  0.109820  1
  H  H3  1  0.717444  0.509402  0.102628  1
  H  H4  1  1.099843  0.981421  0.114402  1
  H  H5  1  1.084785  0.161173  0.106855  1
  H  H6  1  0.972928  0.451664  0.126459  1
  H  H7  1  0.584785  0.161173  0.106855  1
  H  H8  1  1.252627  0.325544  0.109820  1
  H  H9  1  1.159064  0.611198  0.129069  1
  H  H10  1  0.894976  0.854486  0.098562  1
  H  H11  1  0.599843  0.981421  0.114402  1
  H  H12  1  0.513160  0.265064  0.133378  1
  H  H13  1  0.895382  0.672785  0.105535  1
  H  H14  1  0.859391  0.921475  0.137975  1
  H  H15  1  0.395382  0.672785  0.105535  1
  H  H16  1  0.394976  0.854486  0.098562  1
  H  H17  1  0.330802  0.106119  0.131025  1
  H  H18  1  0.637088  0.796478  0.122623  1
  H  H19  1  0.659064  0.611198  0.129069  1
  H  H20  1  0.472928  0.451664  0.126459  1
  H  H21  1  0.418233  0.550314  0.152392  1
  H  H22  1  0.830802  0.106119  0.131025  1
  H  H23  1  0.770230  0.204938  0.156817  1
  H  H24  1  0.732000  0.390658  0.149404  1
  H  H25  1  1.013160  0.265064  0.133378  1
  H  H26  1  1.232000  0.390658  0.149404  1
  H  H27  1  0.918233  0.550314  0.152392  1
  H  H28  1  0.359391  0.921475  0.137975  1
  H  H29  1  0.586139  1.045322  0.154039  1
  H  H30  1  0.270230  0.204938  0.156817  1
  H  H31  1  0.890960  0.735158  0.145424  1
  H  H32  1  0.617526  0.859704  0.161081  1
  H  H33  1  1.137088  0.796478  0.122623  1
  H  H34  1  1.117526  0.859704  0.161081  1
  H  H35  1  1.086139  1.045322  0.154039  1
  H  H36  1  0.390960  0.735158  0.145424  1
  H  H37  1  0.645934  0.674812  0.168484  1
  H  H38  1  1.175672  0.489642  0.175646  1
  H  H39  1  1.145934  0.674812  0.168484  1
  H  H40  1  0.527903  0.143874  0.180097  1
  H  H41  1  0.488652  0.330656  0.172599  1
  H  H42  1  0.432939  0.429031  0.198900  1
  H  H43  1  0.988652  0.330656  0.172599  1
  H  H44  1  0.675672  0.489642  0.175646  1
  H  H45  1  0.901863  0.614369  0.191646  1
  H  H46  1  0.343074  0.984418  0.177138  1
  H  H47  1  1.027903  0.143874  0.180097  1
  H  H48  1  1.245568  0.270001  0.195802  1
  H  H49  1  0.374380  0.799016  0.184337  1
  H  H50  1  0.599467  0.923785  0.200313  1
  H  H51  1  0.874380  0.799016  0.184337  1
  H  H52  1  0.843074  0.984418  0.177138  1
  H  H53  1  0.785429  0.083002  0.203344  1
  H  H54  1  1.131289  0.738327  0.207585  1
  H  H55  1  0.401863  0.614369  0.191646  1
  H  H56  1  0.932939  0.429031  0.198900  1
  H  H57  1  1.158281  0.553820  0.214833  1
  H  H58  1  0.285429  0.083002  0.203344  1
  H  H59  1  0.502699  0.209295  0.219007  1
  H  H60  1  1.190203  0.368315  0.222126  1
  H  H61  1  0.745568  0.270001  0.195802  1
  H  H62  1  0.690203  0.368315  0.222126  1
  H  H63  1  0.658281  0.553820  0.214833  1
  H  H64  1  1.099467  0.923785  0.200313  1
  H  H65  1  1.042734  1.022252  0.226581  1
  H  H66  1  1.002699  0.209295  0.219007  1
  H  H67  1  0.388267  0.677630  0.230819  1
  H  H68  1  0.356047  0.863145  0.223510  1
  H  H69  1  0.631289  0.738327  0.207585  1
  H  H70  1  0.856047  0.863145  0.223510  1
  H  H71  1  0.542734  1.022252  0.226581  1
  H  H72  1  0.888267  0.677630  0.230819  1
  H  H73  1  0.415064  0.493172  0.238027  1
  H  H74  1  0.947413  0.307612  0.245344  1
  H  H75  1  0.915064  0.493172  0.238027  1
  H  H76  1  0.299958  0.961537  0.249809  1
  H  H77  1  1.259843  0.148610  0.242220  1
  H  H78  1  1.204580  0.246918  0.268559  1
  H  H79  1  0.759843  0.148610  0.242220  1
  H  H80  1  0.447413  0.307612  0.245344  1
  H  H81  1  0.672014  0.432500  0.261228  1
  H  H82  1  1.112843  0.802485  0.246715  1
  H  H83  1  0.799958  0.961537  0.249809  1
  H  H84  1  1.016992  0.087922  0.265434  1
  H  H85  1  1.145348  0.616918  0.254041  1
  H  H86  1  0.369806  0.741799  0.269923  1
  H  H87  1  0.645348  0.616918  0.254041  1
  H  H88  1  0.612843  0.802485  0.246715  1
  H  H89  1  0.557159  0.900825  0.273031  1
  H  H90  1  0.902453  0.556210  0.277258  1
  H  H91  1  1.172014  0.432500  0.261228  1
  H  H92  1  0.704580  0.246918  0.268559  1
  H  H93  1  1.159553  0.495509  0.300471  1
  H  H94  1  1.057159  0.900825  0.273031  1
  H  H95  1  0.461716  0.186224  0.291772  1
  H  H96  1  0.929048  0.371816  0.284435  1
  H  H97  1  0.516992  0.087922  0.265434  1
  H  H98  1  0.429048  0.371816  0.284435  1
  H  H99  1  0.659553  0.495509  0.300471  1
  H  H100  1  0.869806  0.741799  0.269923  1
  H  H101  1  0.774154  1.027225  0.288650  1
  H  H102  1  0.961716  0.186224  0.291772  1
  H  H103  1  1.126860  0.681104  0.293132  1
  H  H104  1  0.314349  0.840114  0.296249  1
  H  H105  1  0.402453  0.556210  0.277258  1
  H  H106  1  0.814349  0.840114  0.296249  1
  H  H107  1  0.274154  1.027225  0.288650  1
  H  H108  1  0.626860  0.681104  0.293132  1
  H  H109  1  0.416631  0.434817  0.323681  1
  H  H110  1  0.686127  0.311124  0.307645  1
  H  H111  1  0.916631  0.434817  0.323681  1
  H  H112  1  1.031331  0.966519  0.311867  1
  H  H113  1  1.218819  0.125529  0.314984  1
  H  H114  1  1.173665  0.374133  0.346888  1
  H  H115  1  0.718819  0.125529  0.314984  1
  H  H116  1  1.186127  0.311124  0.307645  1
  H  H117  1  0.641099  0.559715  0.339557  1
  H  H118  1  1.071525  0.779408  0.319466  1
  H  H119  1  0.531331  0.966519  0.311867  1
  H  H120  1  0.943227  0.250423  0.330858  1
  H  H121  1  0.883964  0.620409  0.316344  1
  H  H122  1  0.288520  0.905808  0.335085  1
  H  H123  1  0.383964  0.620409  0.316344  1
  H  H124  1  0.571525  0.779408  0.319466  1
  H  H125  1  0.475873  0.064834  0.338193  1
  H  H126  1  0.828687  0.718711  0.342682  1
  H  H127  1  1.141099  0.559715  0.339557  1
  H  H128  1  0.673665  0.374133  0.346888  1
  H  H129  1  0.898266  0.499021  0.362772  1
  H  H130  1  0.975873  0.064834  0.338193  1
  H  H131  1  1.200331  0.189715  0.354075  1
  H  H132  1  0.930616  0.313461  0.370089  1
  H  H133  1  0.443227  0.250423  0.330858  1
  H  H134  1  0.430616  0.313461  0.370089  1
  H  H135  1  0.398266  0.499021  0.362772  1
  H  H136  1  0.788520  0.905808  0.335085  1
  H  H137  1  0.732836  1.004148  0.361401  1
  H  H138  1  0.700331  0.189715  0.354075  1
  H  H139  1  1.085836  0.658023  0.365896  1
  H  H140  1  1.045721  0.845096  0.358307  1
  H  H141  1  0.328687  0.718711  0.342682  1
  H  H142  1  0.545721  0.845096  0.358307  1
  H  H143  1  1.232836  1.004148  0.361401  1
  H  H144  1  0.585836  0.658023  0.365896  1
  H  H145  1  1.155477  0.438318  0.385990  1
  H  H146  1  0.687399  0.252812  0.393283  1
  H  H147  1  0.655477  0.438318  0.385990  1
  H  H148  1  0.989633  0.943488  0.384606  1
  H  H149  1  0.957412  0.129002  0.377297  1
  H  H150  1  0.943817  0.192264  0.416470  1
  H  H151  1  0.457412  0.129002  0.377297  1
  H  H152  1  1.187399  0.252812  0.393283  1
  H  H153  1  0.412741  0.377601  0.409216  1
  H  H154  1  0.802945  0.784380  0.381535  1
  H  H155  1  0.489633  0.943488  0.384606  1
  H  H156  1  0.714391  0.068306  0.400531  1
  H  H157  1  0.842981  0.597338  0.389109  1
  H  H158  1  1.060251  0.723631  0.404772  1
  H  H159  1  0.342981  0.597338  0.389109  1
  H  H160  1  0.302945  0.784380  0.381535  1
  H  H161  1  1.246212  0.882848  0.407803  1
  H  H162  1  0.600111  0.536631  0.412314  1
  H  H163  1  0.912741  0.377601  0.409216  1
  H  H164  1  0.443817  0.192264  0.416470  1
  H  H165  1  0.670008  0.316991  0.432470  1
  H  H166  1  0.746212  0.882848  0.407803  1
  H  H167  1  0.971299  1.007617  0.423779  1
  H  H168  1  0.699745  0.131821  0.439632  1
  H  H169  1  1.214391  0.068306  0.400531  1
  H  H170  1  1.199745  0.131821  0.439632  1
  H  H171  1  1.170008  0.316991  0.432470  1
  H  H172  1  0.560251  0.723631  0.404772  1
  H  H173  1  0.502605  0.822214  0.430978  1
  H  H174  1  0.471299  1.007617  0.423779  1
  H  H175  1  0.857028  0.475977  0.435517  1
  H  H176  1  0.817776  0.662759  0.428019  1
  H  H177  1  1.100111  0.536631  0.412314  1
  H  H178  1  0.317776  0.662759  0.428019  1
  H  H179  1  1.002605  0.822214  0.430978  1
  H  H180  1  0.357028  0.475977  0.435517  1
  H  H181  1  0.613679  0.415975  0.458712  1
  H  H182  1  0.427446  0.256319  0.455724  1
  H  H183  1  1.113679  0.415975  0.458712  1
  H  H184  1  0.728153  0.946929  0.447035  1
  H  H185  1  0.454720  0.071475  0.462692  1
  H  H186  1  0.686616  0.195435  0.479047  1
  H  H187  1  0.954720  0.071475  0.462692  1
  H  H188  1  0.927446  0.256319  0.455724  1
  H  H189  1  0.872751  0.354968  0.481657  1
  H  H190  1  1.259541  0.761310  0.454077  1
  H  H191  1  1.228153  0.946929  0.447035  1
  H  H192  1  1.208591  1.010154  0.485493  1
  H  H193  1  0.575450  0.601695  0.451299  1
  H  H194  1  0.514877  0.700514  0.477091  1
  H  H195  1  1.075450  0.601695  0.451299  1
  H  H196  1  0.759541  0.761310  0.454077  1
  H  H197  1  0.986289  0.885158  0.470141  1
  H  H198  1  0.332520  0.541568  0.474738  1
  H  H199  1  0.372751  0.354968  0.481657  1
  H  H200  1  1.186616  0.195435  0.479047  1
  H  H201  1  1.093052  0.481088  0.498296  1
  H  H202  1  0.486289  0.885158  0.470141  1
  H  H203  1  0.450298  0.133848  0.502581  1
  H  H204  1  1.128235  0.297231  0.505488  1
  H  H205  1  0.708591  1.010154  0.485493  1
  H  H206  1  0.628235  0.297231  0.505488  1
  H  H207  1  0.593052  0.481088  0.498296  1
  H  H208  1  1.014877  0.700514  0.477091  1
  H  H209  1  0.950703  0.952147  0.509554  1
  H  H210  1  0.950298  0.133848  0.502581  1
  H  H211  1  1.260894  0.645460  0.501261  1
  H  H212  1  1.245837  0.825212  0.493714  1
  H  H213  1  0.832520  0.541568  0.474738  1
  H  H214  1  0.745837  0.825212  0.493714  1
  H  H215  1  0.450703  0.952147  0.509554  1
  H  H216  1  0.760894  0.645460  0.501261  1
