# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.90855010
_cell_length_b   15.09094761
_cell_length_c   47.80987557
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   128.79137645
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H288
_cell_volume   10633.3652951
_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  0.629247  0.258494  0.307509  1
  H  H2  1  0.295913  0.258494  0.307509  1
  H  H3  1  0.266418  0.866169  0.287901  1
  H  H4  1  0.962580  0.258494  0.307509  1
  H  H5  1  0.933084  0.866169  0.287901  1
  H  H6  1  0.903589  0.473844  0.268293  1
  H  H7  1  0.599751  0.866169  0.287901  1
  H  H8  1  0.570255  0.473844  0.268293  1
  H  H9  1  0.236922  0.473844  0.268293  1
  H  H10  1  0.799870  0.599740  0.310139  1
  H  H11  1  0.466536  0.599740  0.310139  1
  H  H12  1  0.437041  0.207415  0.290531  1
  H  H13  1  0.133203  0.599740  0.310139  1
  H  H14  1  0.103707  0.207415  0.290531  1
  H  H15  1  0.074212  0.815090  0.270923  1
  H  H16  1  0.770374  0.207415  0.290531  1
  H  H17  1  0.740878  0.815090  0.270923  1
  H  H18  1  0.407545  0.815090  0.270923  1
  H  H19  1  0.781166  0.562331  0.297705  1
  H  H20  1  0.447832  0.562331  0.297705  1
  H  H21  1  0.418336  0.170006  0.278097  1
  H  H22  1  0.114499  0.562331  0.297705  1
  H  H23  1  0.085003  0.170006  0.278097  1
  H  H24  1  0.143995  0.954656  0.317312  1
  H  H25  1  0.751670  0.170006  0.278097  1
  H  H26  1  0.810661  0.954656  0.317312  1
  H  H27  1  0.477328  0.954656  0.317312  1
  H  H28  1  0.647951  0.295902  0.319942  1
  H  H29  1  0.314618  0.295902  0.319942  1
  H  H30  1  0.285122  0.903577  0.300335  1
  H  H31  1  0.981284  0.295902  0.319942  1
  H  H32  1  0.951789  0.903577  0.300335  1
  H  H33  1  0.922293  0.511252  0.280727  1
  H  H34  1  0.618455  0.903577  0.300335  1
  H  H35  1  0.588959  0.511252  0.280727  1
  H  H36  1  0.255626  0.511252  0.280727  1
  H  H37  1  0.717734  0.435468  0.366332  1
  H  H38  1  0.384401  0.435468  0.366332  1
  H  H39  1  0.354905  0.043143  0.346724  1
  H  H40  1  0.051067  0.435468  0.366332  1
  H  H41  1  0.021572  0.043143  0.346724  1
  H  H42  1  0.992076  0.650818  0.327116  1
  H  H43  1  0.688238  0.043143  0.346724  1
  H  H44  1  0.658743  0.650818  0.327116  1
  H  H45  1  0.325409  0.650818  0.327116  1
  H  H46  1  0.888357  0.776714  0.368962  1
  H  H47  1  0.555024  0.776714  0.368962  1
  H  H48  1  0.525528  0.384389  0.349354  1
  H  H49  1  0.221690  0.776714  0.368962  1
  H  H50  1  0.192195  0.384389  0.349354  1
  H  H51  1  0.162699  0.992064  0.329746  1
  H  H52  1  0.858861  0.384389  0.349354  1
  H  H53  1  0.829366  0.992064  0.329746  1
  H  H54  1  0.496032  0.992064  0.329746  1
  H  H55  1  0.869653  0.739306  0.356528  1
  H  H56  1  0.536320  0.739306  0.356528  1
  H  H57  1  0.506824  0.346981  0.336920  1
  H  H58  1  0.202986  0.739306  0.356528  1
  H  H59  1  0.173490  0.346981  0.336920  1
  H  H60  1  0.232482  0.131631  0.376136  1
  H  H61  1  0.840157  0.346981  0.336920  1
  H  H62  1  0.899149  0.131631  0.376136  1
  H  H63  1  0.565815  0.131631  0.376136  1
  H  H64  1  0.736438  0.472877  0.378766  1
  H  H65  1  0.403105  0.472877  0.378766  1
  H  H66  1  0.373609  0.080552  0.359158  1
  H  H67  1  0.069772  0.472877  0.378766  1
  H  H68  1  0.040276  0.080552  0.359158  1
  H  H69  1  0.010780  0.688227  0.339550  1
  H  H70  1  0.706943  0.080552  0.359158  1
  H  H71  1  0.677447  0.688227  0.339550  1
  H  H72  1  0.344113  0.688227  0.339550  1
  H  H73  1  0.806221  0.612443  0.425156  1
  H  H74  1  0.472888  0.612443  0.425156  1
  H  H75  1  0.443392  0.220118  0.405548  1
  H  H76  1  0.139555  0.612443  0.425156  1
  H  H77  1  0.110059  0.220118  0.405548  1
  H  H78  1  0.080563  0.827793  0.385940  1
  H  H79  1  0.776726  0.220118  0.405548  1
  H  H80  1  0.747230  0.827793  0.385940  1
  H  H81  1  0.413897  0.827793  0.385940  1
  H  H82  1  0.976844  0.953689  0.427786  1
  H  H83  1  0.643511  0.953689  0.427786  1
  H  H84  1  0.614015  0.561364  0.408178  1
  H  H85  1  0.310178  0.953689  0.427786  1
  H  H86  1  0.280682  0.561364  0.408178  1
  H  H87  1  0.251186  0.169039  0.388570  1
  H  H88  1  0.947349  0.561364  0.408178  1
  H  H89  1  0.917853  0.169039  0.388570  1
  H  H90  1  0.584520  0.169039  0.388570  1
  H  H91  1  0.958140  0.916280  0.415352  1
  H  H92  1  0.624807  0.916280  0.415352  1
  H  H93  1  0.595311  0.523956  0.395744  1
  H  H94  1  0.291474  0.916280  0.415352  1
  H  H95  1  0.261978  0.523956  0.395744  1
  H  H96  1  0.320969  0.308605  0.434959  1
  H  H97  1  0.928644  0.523956  0.395744  1
  H  H98  1  0.987636  0.308605  0.434959  1
  H  H99  1  0.654303  0.308605  0.434959  1
  H  H100  1  0.824926  0.649851  0.437590  1
  H  H101  1  0.491592  0.649851  0.437590  1
  H  H102  1  0.462096  0.257526  0.417982  1
  H  H103  1  0.158259  0.649851  0.437590  1
  H  H104  1  0.128763  0.257526  0.417982  1
  H  H105  1  0.099267  0.865201  0.398374  1
  H  H106  1  0.795430  0.257526  0.417982  1
  H  H107  1  0.765934  0.865201  0.398374  1
  H  H108  1  0.432601  0.865201  0.398374  1
  H  H109  1  0.894709  0.789417  0.483979  1
  H  H110  1  0.561375  0.789417  0.483979  1
  H  H111  1  0.531880  0.397093  0.464371  1
  H  H112  1  0.228042  0.789417  0.483979  1
  H  H113  1  0.198546  0.397093  0.464371  1
  H  H114  1  0.169050  0.004768  0.444763  1
  H  H115  1  0.865213  0.397093  0.464371  1
  H  H116  1  0.835717  0.004768  0.444763  1
  H  H117  1  0.502384  0.004768  0.444763  1
  H  H118  1  0.065332  0.130663  0.486609  1
  H  H119  1  0.731998  0.130663  0.486609  1
  H  H120  1  0.702503  0.738338  0.467001  1
  H  H121  1  0.398665  0.130663  0.486609  1
  H  H122  1  0.369169  0.738338  0.467001  1
  H  H123  1  0.339673  0.346014  0.447393  1
  H  H124  1  0.035836  0.738338  0.467001  1
  H  H125  1  0.006340  0.346014  0.447393  1
  H  H126  1  0.673007  0.346014  0.447393  1
  H  H127  1  0.046627  0.093255  0.474175  1
  H  H128  1  0.713294  0.093255  0.474175  1
  H  H129  1  0.683798  0.700930  0.454567  1
  H  H130  1  0.379961  0.093255  0.474175  1
  H  H131  1  0.350465  0.700930  0.454567  1
  H  H132  1  0.409457  0.485580  0.493783  1
  H  H133  1  0.017132  0.700930  0.454567  1
  H  H134  1  0.076123  0.485580  0.493783  1
  H  H135  1  0.742790  0.485580  0.493783  1
  H  H136  1  0.913413  0.826826  0.496413  1
  H  H137  1  0.580080  0.826826  0.496413  1
  H  H138  1  0.550584  0.434501  0.476805  1
  H  H139  1  0.246746  0.826826  0.496413  1
  H  H140  1  0.217250  0.434501  0.476805  1
  H  H141  1  0.187755  0.042176  0.457197  1
  H  H142  1  0.883917  0.434501  0.476805  1
  H  H143  1  0.854421  0.042176  0.457197  1
  H  H144  1  0.521088  0.042176  0.457197  1
  H  H145  1  0.983196  0.966392  0.542803  1
  H  H146  1  0.649863  0.966392  0.542803  1
  H  H147  1  0.620367  0.574067  0.523195  1
  H  H148  1  0.316529  0.966392  0.542803  1
  H  H149  1  0.287034  0.574067  0.523195  1
  H  H150  1  0.257538  0.181742  0.503587  1
  H  H151  1  0.953700  0.574067  0.523195  1
  H  H152  1  0.924204  0.181742  0.503587  1
  H  H153  1  0.590871  0.181742  0.503587  1
  H  H154  1  0.153819  0.307638  0.545433  1
  H  H155  1  0.820486  0.307638  0.545433  1
  H  H156  1  0.790990  0.915313  0.525825  1
  H  H157  1  0.487152  0.307638  0.545433  1
  H  H158  1  0.457657  0.915313  0.525825  1
  H  H159  1  0.428161  0.522988  0.506217  1
  H  H160  1  0.124323  0.915313  0.525825  1
  H  H161  1  0.094827  0.522988  0.506217  1
  H  H162  1  0.761494  0.522988  0.506217  1
  H  H163  1  0.135115  0.270230  0.532999  1
  H  H164  1  0.801781  0.270230  0.532999  1
  H  H165  1  0.772286  0.877905  0.513391  1
  H  H166  1  0.468448  0.270230  0.532999  1
  H  H167  1  0.438952  0.877905  0.513391  1
  H  H168  1  0.497944  0.662554  0.552607  1
  H  H169  1  0.105619  0.877905  0.513391  1
  H  H170  1  0.164611  0.662554  0.552607  1
  H  H171  1  0.831277  0.662554  0.552607  1
  H  H172  1  0.001900  0.003800  0.555237  1
  H  H173  1  0.668567  0.003800  0.555237  1
  H  H174  1  0.639071  0.611476  0.535629  1
  H  H175  1  0.335234  0.003800  0.555237  1
  H  H176  1  0.305738  0.611476  0.535629  1
  H  H177  1  0.276242  0.219151  0.516021  1
  H  H178  1  0.972404  0.611476  0.535629  1
  H  H179  1  0.942909  0.219151  0.516021  1
  H  H180  1  0.609575  0.219151  0.516021  1
  H  H181  1  0.071683  0.143367  0.601626  1
  H  H182  1  0.738350  0.143367  0.601626  1
  H  H183  1  0.708854  0.751042  0.582018  1
  H  H184  1  0.405017  0.143367  0.601626  1
  H  H185  1  0.375521  0.751042  0.582018  1
  H  H186  1  0.346025  0.358717  0.562410  1
  H  H187  1  0.042188  0.751042  0.582018  1
  H  H188  1  0.012692  0.358717  0.562410  1
  H  H189  1  0.679358  0.358717  0.562410  1
  H  H190  1  0.242306  0.484613  0.604256  1
  H  H191  1  0.908973  0.484613  0.604256  1
  H  H192  1  0.879477  0.092288  0.584648  1
  H  H193  1  0.575640  0.484613  0.604256  1
  H  H194  1  0.546144  0.092288  0.584648  1
  H  H195  1  0.516648  0.699963  0.565041  1
  H  H196  1  0.212810  0.092288  0.584648  1
  H  H197  1  0.183315  0.699963  0.565041  1
  H  H198  1  0.849981  0.699963  0.565041  1
  H  H199  1  0.223602  0.447204  0.591822  1
  H  H200  1  0.890269  0.447204  0.591822  1
  H  H201  1  0.860773  0.054879  0.572214  1
  H  H202  1  0.556935  0.447204  0.591822  1
  H  H203  1  0.527440  0.054879  0.572214  1
  H  H204  1  0.586431  0.839529  0.611430  1
  H  H205  1  0.194106  0.054879  0.572214  1
  H  H206  1  0.253098  0.839529  0.611430  1
  H  H207  1  0.919764  0.839529  0.611430  1
  H  H208  1  0.090387  0.180775  0.614060  1
  H  H209  1  0.757054  0.180775  0.614060  1
  H  H210  1  0.727558  0.788450  0.594452  1
  H  H211  1  0.423721  0.180775  0.614060  1
  H  H212  1  0.394225  0.788450  0.594452  1
  H  H213  1  0.364729  0.396125  0.574844  1
  H  H214  1  0.060892  0.788450  0.594452  1
  H  H215  1  0.031396  0.396125  0.574844  1
  H  H216  1  0.698063  0.396125  0.574844  1
  H  H217  1  0.160171  0.320341  0.660450  1
  H  H218  1  0.826837  0.320341  0.660450  1
  H  H219  1  0.797341  0.928016  0.640842  1
  H  H220  1  0.493504  0.320341  0.660450  1
  H  H221  1  0.464008  0.928016  0.640842  1
  H  H222  1  0.434512  0.535691  0.621234  1
  H  H223  1  0.130675  0.928016  0.640842  1
  H  H224  1  0.101179  0.535691  0.621234  1
  H  H225  1  0.767846  0.535691  0.621234  1
  H  H226  1  0.330794  0.661587  0.663080  1
  H  H227  1  0.997460  0.661587  0.663080  1
  H  H228  1  0.967964  0.269262  0.643472  1
  H  H229  1  0.664127  0.661587  0.663080  1
  H  H230  1  0.634631  0.269262  0.643472  1
  H  H231  1  0.605135  0.876937  0.623864  1
  H  H232  1  0.301298  0.269262  0.643472  1
  H  H233  1  0.271802  0.876937  0.623864  1
  H  H234  1  0.938469  0.876937  0.623864  1
  H  H235  1  0.312089  0.624179  0.650646  1
  H  H236  1  0.978756  0.624179  0.650646  1
  H  H237  1  0.949260  0.231854  0.631038  1
  H  H238  1  0.645423  0.624179  0.650646  1
  H  H239  1  0.615927  0.231854  0.631038  1
  H  H240  1  0.674918  0.016504  0.670254  1
  H  H241  1  0.282594  0.231854  0.631038  1
  H  H242  1  0.341585  0.016504  0.670254  1
  H  H243  1  0.008252  0.016504  0.670254  1
  H  H244  1  0.178875  0.357750  0.672884  1
  H  H245  1  0.845541  0.357750  0.672884  1
  H  H246  1  0.816046  0.965425  0.653276  1
  H  H247  1  0.512208  0.357750  0.672884  1
  H  H248  1  0.482712  0.965425  0.653276  1
  H  H249  1  0.453217  0.573100  0.633668  1
  H  H250  1  0.149379  0.965425  0.653276  1
  H  H251  1  0.119883  0.573100  0.633668  1
  H  H252  1  0.786550  0.573100  0.633668  1
  H  H253  1  0.248658  0.497316  0.719273  1
  H  H254  1  0.915325  0.497316  0.719273  1
  H  H255  1  0.885829  0.104991  0.699665  1
  H  H256  1  0.581991  0.497316  0.719273  1
  H  H257  1  0.552495  0.104991  0.699665  1
  H  H258  1  0.523000  0.712666  0.680058  1
  H  H259  1  0.219162  0.104991  0.699665  1
  H  H260  1  0.189666  0.712666  0.680058  1
  H  H261  1  0.856333  0.712666  0.680058  1
  H  H262  1  0.419281  0.838562  0.721903  1
  H  H263  1  0.085948  0.838562  0.721903  1
  H  H264  1  0.056452  0.446237  0.702295  1
  H  H265  1  0.752614  0.838562  0.721903  1
  H  H266  1  0.723118  0.446237  0.702295  1
  H  H267  1  0.693623  0.053912  0.682688  1
  H  H268  1  0.389785  0.446237  0.702295  1
  H  H269  1  0.360289  0.053912  0.682688  1
  H  H270  1  0.026956  0.053912  0.682688  1
  H  H271  1  0.400577  0.801153  0.709469  1
  H  H272  1  0.067243  0.801153  0.709469  1
  H  H273  1  0.037748  0.408828  0.689861  1
  H  H274  1  0.733910  0.801153  0.709469  1
  H  H275  1  0.704414  0.408828  0.689861  1
  H  H276  1  0.763406  0.193478  0.729077  1
  H  H277  1  0.371081  0.408828  0.689861  1
  H  H278  1  0.430072  0.193478  0.729077  1
  H  H279  1  0.096739  0.193478  0.729077  1
  H  H280  1  0.267362  0.534724  0.731707  1
  H  H281  1  0.934029  0.534724  0.731707  1
  H  H282  1  0.904533  0.142399  0.712099  1
  H  H283  1  0.600695  0.534724  0.731707  1
  H  H284  1  0.571200  0.142399  0.712099  1
  H  H285  1  0.541704  0.750074  0.692491  1
  H  H286  1  0.237866  0.142399  0.712099  1
  H  H287  1  0.208371  0.750074  0.692491  1
  H  H288  1  0.875037  0.750074  0.692491  1
