# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01229397
_cell_length_b   12.58987513
_cell_length_c   77.63278325
_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   4822.99386414
_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  0.756314  0.976641  0.114358  1
  H  H2  1  0.363307  0.756268  0.134099  1
  H  H3  1  1.256314  0.976641  0.114358  1
  H  H4  1  0.733392  0.500763  0.102050  1
  H  H5  1  0.410590  0.659732  0.106513  1
  H  H6  1  0.584857  0.817742  0.110722  1
  H  H7  1  0.910590  0.659732  0.106513  1
  H  H8  1  1.084857  0.817742  0.110722  1
  H  H9  1  1.035365  0.913130  0.137890  1
  H  H10  1  0.330554  0.319181  0.110135  1
  H  H11  1  1.233392  0.500763  0.102050  1
  H  H12  1  1.189065  0.600965  0.129860  1
  H  H13  1  0.654996  0.158970  0.106363  1
  H  H14  1  0.610787  0.258242  0.133679  1
  H  H15  1  1.154996  0.158970  0.106363  1
  H  H16  1  0.830554  0.319181  0.110135  1
  H  H17  1  1.013806  0.445954  0.125996  1
  H  H18  1  0.437652  0.102058  0.130320  1
  H  H19  1  0.535365  0.913130  0.137890  1
  H  H20  1  1.141845  0.695908  0.157252  1
  H  H21  1  0.314398  0.851943  0.161197  1
  H  H22  1  0.513806  0.445954  0.125996  1
  H  H23  1  0.468171  0.540729  0.152994  1
  H  H24  1  0.641845  0.695908  0.157252  1
  H  H25  1  0.689065  0.600965  0.129860  1
  H  H26  1  0.863307  0.756268  0.134099  1
  H  H27  1  0.814398  0.851943  0.161197  1
  H  H28  1  1.110787  0.258242  0.133679  1
  H  H29  1  0.294890  0.384748  0.148835  1
  H  H30  1  0.968171  0.540729  0.152994  1
  H  H31  1  0.718758  1.039766  0.153127  1
  H  H32  1  0.390561  0.196765  0.157002  1
  H  H33  1  0.937652  0.102058  0.130320  1
  H  H34  1  0.890561  0.196765  0.157002  1
  H  H35  1  0.794890  0.384748  0.148835  1
  H  H36  1  1.218758  1.039766  0.153127  1
  H  H37  1  0.593437  0.791477  0.184518  1
  H  H38  1  1.199875  0.575444  0.203658  1
  H  H39  1  1.093437  0.791477  0.184518  1
  H  H40  1  0.574549  0.324630  0.171855  1
  H  H41  1  1.247510  0.480312  0.176122  1
  H  H42  1  0.420819  0.635577  0.180468  1
  H  H43  1  0.747510  0.480312  0.176122  1
  H  H44  1  0.920819  0.635577  0.180468  1
  H  H45  1  0.872469  0.731326  0.207789  1
  H  H46  1  1.170176  0.135936  0.180205  1
  H  H47  1  1.074549  0.324630  0.171855  1
  H  H48  1  1.026684  0.420238  0.199241  1
  H  H49  1  0.498104  0.979587  0.176184  1
  H  H50  1  0.449358  0.075905  0.203413  1
  H  H51  1  0.998104  0.979587  0.176184  1
  H  H52  1  0.670176  0.135936  0.180205  1
  H  H53  1  0.853842  0.264645  0.194898  1
  H  H54  1  0.277125  0.919803  0.199315  1
  H  H55  1  0.372469  0.731326  0.207789  1
  H  H56  1  0.978797  0.515731  0.226855  1
  H  H57  1  1.151396  0.671551  0.231040  1
  H  H58  1  0.353842  0.264645  0.194898  1
  H  H59  1  0.305632  0.360594  0.222382  1
  H  H60  1  0.478797  0.515731  0.226855  1
  H  H61  1  0.526684  0.420238  0.199241  1
  H  H62  1  0.699875  0.575444  0.203658  1
  H  H63  1  0.651396  0.671551  0.231040  1
  H  H64  1  0.949358  0.075905  0.203413  1
  H  H65  1  1.132817  0.205091  0.218003  1
  H  H66  1  0.805632  0.360594  0.222382  1
  H  H67  1  0.556002  0.860232  0.222449  1
  H  H68  1  1.228296  1.016294  0.226597  1
  H  H69  1  0.777125  0.919803  0.199315  1
  H  H70  1  0.728296  1.016294  0.226597  1
  H  H71  1  0.632817  0.205091  0.218003  1
  H  H72  1  1.056002  0.860232  0.222449  1
  H  H73  1  0.430143  0.612261  0.254264  1
  H  H74  1  1.036092  0.397564  0.273226  1
  H  H75  1  0.930143  0.612261  0.254264  1
  H  H76  1  0.411567  0.145889  0.241102  1
  H  H77  1  1.084371  0.301376  0.245503  1
  H  H78  1  1.257540  0.456449  0.250029  1
  H  H79  1  0.584371  0.301376  0.245503  1
  H  H80  1  0.757540  0.456449  0.250029  1
  H  H81  1  0.708716  0.553339  0.277501  1
  H  H82  1  1.007054  0.957002  0.249784  1
  H  H83  1  0.911567  0.145889  0.241102  1
  H  H84  1  0.862916  0.242487  0.268662  1
  H  H85  1  0.334727  0.800958  0.245609  1
  H  H86  1  0.285600  0.898164  0.272961  1
  H  H87  1  0.834727  0.800958  0.245609  1
  H  H88  1  0.507054  0.957002  0.249784  1
  H  H89  1  0.690137  0.086963  0.264246  1
  H  H90  1  1.113255  0.742101  0.268762  1
  H  H91  1  1.208716  0.553339  0.277501  1
  H  H92  1  0.814436  0.339115  0.296393  1
  H  H93  1  0.987068  0.494929  0.300710  1
  H  H94  1  1.190137  0.086963  0.264246  1
  H  H95  1  1.141254  0.184040  0.291796  1
  H  H96  1  0.314436  0.339115  0.296393  1
  H  H97  1  0.362916  0.242487  0.268662  1
  H  H98  1  0.536092  0.397564  0.273226  1
  H  H99  1  0.487068  0.494929  0.300710  1
  H  H100  1  0.785600  0.898164  0.272961  1
  H  H101  1  0.968487  1.028464  0.287381  1
  H  H102  1  0.641254  0.184040  0.291796  1
  H  H103  1  0.391610  0.683576  0.291952  1
  H  H104  1  1.063960  0.839679  0.296163  1
  H  H105  1  0.613255  0.742101  0.268762  1
  H  H106  1  0.563960  0.839679  0.296163  1
  H  H107  1  0.468487  1.028464  0.287381  1
  H  H108  1  0.891610  0.683576  0.291952  1
  H  H109  1  1.265247  0.436830  0.323949  1
  H  H110  1  0.870545  0.223368  0.342758  1
  H  H111  1  0.765247  0.436830  0.323949  1
  H  H112  1  1.246664  0.970261  0.310569  1
  H  H113  1  0.919399  0.125928  0.314979  1
  H  H114  1  1.092580  0.281054  0.319595  1
  H  H115  1  0.419399  0.125928  0.314979  1
  H  H116  1  0.592580  0.281054  0.319595  1
  H  H117  1  0.543225  0.379191  0.347143  1
  H  H118  1  0.842108  0.781640  0.319354  1
  H  H119  1  0.746664  0.970261  0.310569  1
  H  H120  1  0.697366  0.068201  0.338137  1
  H  H121  1  1.169751  0.625509  0.315127  1
  H  H122  1  1.120102  0.723888  0.342575  1
  H  H123  1  0.669751  0.625509  0.315127  1
  H  H124  1  0.342108  0.781640  0.319354  1
  H  H125  1  0.524653  0.912448  0.333756  1
  H  H126  1  0.947756  0.567681  0.338348  1
  H  H127  1  1.043225  0.379191  0.347143  1
  H  H128  1  0.648405  0.165862  0.365963  1
  H  H129  1  0.821140  0.321623  0.370373  1
  H  H130  1  1.024653  0.912448  0.333756  1
  H  H131  1  0.975224  1.010640  0.361348  1
  H  H132  1  1.148405  0.165862  0.365963  1
  H  H133  1  1.197366  0.068201  0.338137  1
  H  H134  1  0.370545  0.223368  0.342758  1
  H  H135  1  0.321140  0.321623  0.370373  1
  H  H136  1  0.620102  0.723888  0.342575  1
  H  H137  1  0.802550  0.854775  0.356998  1
  H  H138  1  0.475224  1.010640  0.361348  1
  H  H139  1  1.225628  0.510169  0.361550  1
  H  H140  1  0.897964  0.666391  0.365774  1
  H  H141  1  0.447756  0.567681  0.338348  1
  H  H142  1  0.397964  0.666391  0.365774  1
  H  H143  1  0.302550  0.854775  0.356998  1
  H  H144  1  0.725628  0.510169  0.361550  1
  H  H145  1  1.099027  0.264196  0.393532  1
  H  H146  1  0.704255  1.050652  0.412306  1
  H  H147  1  0.599027  0.264196  0.393532  1
  H  H148  1  1.080414  0.797184  0.380247  1
  H  H149  1  0.753060  0.953142  0.384534  1
  H  H150  1  0.926259  0.108409  0.389117  1
  H  H151  1  1.253060  0.953142  0.384534  1
  H  H152  1  0.426259  0.108409  0.389117  1
  H  H153  1  0.377100  0.206412  0.416714  1
  H  H154  1  0.675829  0.608857  0.388992  1
  H  H155  1  0.580414  0.797184  0.380247  1
  H  H156  1  0.531013  0.895331  0.407762  1
  H  H157  1  1.003543  0.452537  0.384801  1
  H  H158  1  0.953780  0.551128  0.412168  1
  H  H159  1  0.503543  0.452537  0.384801  1
  H  H160  1  1.175829  0.608857  0.388992  1
  H  H161  1  0.358395  0.739278  0.403542  1
  H  H162  1  0.781558  0.394798  0.408033  1
  H  H163  1  0.877100  0.206412  0.416714  1
  H  H164  1  0.482547  0.992315  0.435442  1
  H  H165  1  0.655529  0.148110  0.439788  1
  H  H166  1  0.858395  0.739278  0.403542  1
  H  H167  1  0.809161  0.837005  0.430968  1
  H  H168  1  0.982547  0.992315  0.435442  1
  H  H169  1  1.031013  0.895331  0.407762  1
  H  H170  1  1.204255  1.050652  0.412306  1
  H  H171  1  1.155529  0.148110  0.439788  1
  H  H172  1  0.453780  0.551128  0.412168  1
  H  H173  1  0.636543  0.680927  0.426858  1
  H  H174  1  0.309161  0.837005  0.430968  1
  H  H175  1  1.059891  0.336465  0.431312  1
  H  H176  1  0.731932  0.493064  0.435349  1
  H  H177  1  0.281558  0.394798  0.408033  1
  H  H178  1  1.231932  0.493064  0.435349  1
  H  H179  1  1.136543  0.680927  0.426858  1
  H  H180  1  0.559891  0.336465  0.431312  1
  H  H181  1  0.934501  0.089265  0.462849  1
  H  H182  1  0.539767  0.874065  0.481719  1
  H  H183  1  0.434501  0.089265  0.462849  1
  H  H184  1  0.914851  0.621968  0.450228  1
  H  H185  1  0.587388  0.778174  0.454207  1
  H  H186  1  0.761146  0.933335  0.458595  1
  H  H187  1  1.087388  0.778174  0.454207  1
  H  H188  1  1.261146  0.933335  0.458595  1
  H  H189  1  1.215104  1.028972  0.485690  1
  H  H190  1  0.510546  0.434275  0.458428  1
  H  H191  1  0.414851  0.621968  0.450228  1
  H  H192  1  0.365413  0.718859  0.477367  1
  H  H193  1  0.838786  0.277092  0.454562  1
  H  H194  1  0.791137  0.372920  0.481258  1
  H  H195  1  0.338786  0.277092  0.454562  1
  H  H196  1  1.010546  0.434275  0.458428  1
  H  H197  1  1.193385  0.561870  0.473570  1
  H  H198  1  0.618041  0.216571  0.477926  1
  H  H199  1  0.715104  1.028972  0.485690  1
  H  H200  1  0.317900  0.815977  0.505067  1
  H  H201  1  0.495176  0.974835  0.509650  1
  H  H202  1  0.693385  0.561870  0.473570  1
  H  H203  1  0.643560  0.658044  0.500749  1
  H  H204  1  0.817900  0.815977  0.505067  1
  H  H205  1  0.865413  0.718859  0.477367  1
  H  H206  1  1.039767  0.874065  0.481719  1
  H  H207  1  0.995176  0.974835  0.509650  1
  H  H208  1  0.291137  0.372920  0.481258  1
  H  H209  1  0.472126  0.499039  0.497127  1
  H  H210  1  1.143560  0.658044  0.500749  1
  H  H211  1  0.897871  0.156402  0.501497  1
  H  H212  1  0.573304  0.316767  0.505233  1
  H  H213  1  1.118041  0.216571  0.477926  1
  H  H214  1  1.073304  0.316767  0.505233  1
  H  H215  1  0.972126  0.499039  0.497127  1
  H  H216  1  0.397871  0.156402  0.501497  1
