# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.12045622
_cell_length_b   17.38673528
_cell_length_c   15.40418932
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.58677555
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H447
_cell_volume   3962.02680045
_cell_formula_units_Z   223
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  0.964338  0.083403  0.312268  1
  H  H2  1  0.964338  0.083409  0.562605  1
  H  H3  1  0.964338  0.083403  0.812943  1
  H  H4  1  0.842235  0.205169  0.062605  1
  H  H5  1  0.839638  0.208259  0.312178  1
  H  H6  1  0.839365  0.208385  0.562605  1
  H  H7  1  0.839638  0.208259  0.813032  1
  H  H8  1  0.715277  0.332358  0.062605  1
  H  H9  1  0.714475  0.333279  0.312489  1
  H  H10  1  0.714410  0.333407  0.562605  1
  H  H11  1  0.714475  0.333279  0.812721  1
  H  H12  1  0.589671  0.458095  0.062605  1
  H  H13  1  0.589416  0.458383  0.312540  1
  H  H14  1  0.589383  0.458423  0.562605  1
  H  H15  1  0.589416  0.458383  0.812671  1
  H  H16  1  0.464354  0.583458  0.062605  1
  H  H17  1  0.464359  0.583456  0.312555  1
  H  H18  1  0.464356  0.583447  0.562605  1
  H  H19  1  0.464359  0.583456  0.812655  1
  H  H20  1  0.338984  0.708765  0.062605  1
  H  H21  1  0.339283  0.708503  0.312538  1
  H  H22  1  0.339332  0.708466  0.562605  1
  H  H23  1  0.339283  0.708503  0.812673  1
  H  H24  1  0.213249  0.834367  0.062605  1
  H  H25  1  0.214185  0.833550  0.312486  1
  H  H26  1  0.214325  0.833482  0.562605  1
  H  H27  1  0.214185  0.833550  0.812725  1
  H  H28  1  0.086055  0.961341  0.062605  1
  H  H29  1  0.089201  0.958685  0.312175  1
  H  H30  1  0.089306  0.958437  0.562605  1
  H  H31  1  0.089201  0.958685  0.813036  1
  H  H32  1  0.103553  0.083692  0.062605  1
  H  H33  1  0.107006  0.083273  0.312176  1
  H  H34  1  0.107163  0.083410  0.562605  1
  H  H35  1  0.107006  0.083273  0.813034  1
  H  H36  1  0.982075  0.205145  0.062605  1
  H  H37  1  0.982027  0.208245  0.312180  1
  H  H38  1  0.982193  0.208377  0.562605  1
  H  H39  1  0.982027  0.208245  0.813030  1
  H  H40  1  0.857605  0.332461  0.062605  1
  H  H41  1  0.857229  0.333331  0.312412  1
  H  H42  1  0.857215  0.333367  0.562605  1
  H  H43  1  0.857229  0.333331  0.812798  1
  H  H44  1  0.732457  0.457986  0.062605  1
  H  H45  1  0.732235  0.458367  0.312518  1
  H  H46  1  0.732220  0.458411  0.562605  1
  H  H47  1  0.732235  0.458367  0.812692  1
  H  H48  1  0.607287  0.583334  0.062605  1
  H  H49  1  0.607222  0.583429  0.312546  1
  H  H50  1  0.607210  0.583433  0.562605  1
  H  H51  1  0.607222  0.583429  0.812665  1
  H  H52  1  0.482074  0.708550  0.062605  1
  H  H53  1  0.482184  0.708467  0.312545  1
  H  H54  1  0.482196  0.708447  0.562605  1
  H  H55  1  0.482184  0.708467  0.812666  1
  H  H56  1  0.356729  0.833724  0.062605  1
  H  H57  1  0.357130  0.833474  0.312515  1
  H  H58  1  0.357180  0.833451  0.562605  1
  H  H59  1  0.357130  0.833474  0.812695  1
  H  H60  1  0.231192  0.958892  0.062605  1
  H  H61  1  0.232111  0.958456  0.312408  1
  H  H62  1  0.232142  0.958441  0.562605  1
  H  H63  1  0.232111  0.958456  0.812802  1
  H  H64  1  0.248893  0.083529  0.062605  1
  H  H65  1  0.249899  0.083423  0.312485  1
  H  H66  1  0.250033  0.083365  0.562605  1
  H  H67  1  0.249899  0.083423  0.812726  1
  H  H68  1  0.124661  0.208075  0.062605  1
  H  H69  1  0.125077  0.208417  0.312826  1
  H  H70  1  0.125001  0.208366  0.562605  1
  H  H71  1  0.125077  0.208417  0.812385  1
  H  H72  1  1.000030  0.332313  0.062605  1
  H  H73  1  1.000041  0.333245  0.312495  1
  H  H74  1  0.999993  0.333390  0.562605  1
  H  H75  1  1.000041  0.333245  0.812715  1
  H  H76  1  0.875184  0.457979  0.062605  1
  H  H77  1  0.875062  0.458356  0.312519  1
  H  H78  1  0.875034  0.458406  0.562605  1
  H  H79  1  0.875062  0.458356  0.812691  1
  H  H80  1  0.750138  0.583293  0.062605  1
  H  H81  1  0.750062  0.583412  0.312543  1
  H  H82  1  0.750050  0.583429  0.562605  1
  H  H83  1  0.750062  0.583412  0.812667  1
  H  H84  1  0.625058  0.708477  0.062605  1
  H  H85  1  0.625055  0.708451  0.312548  1
  H  H86  1  0.625053  0.708438  0.562605  1
  H  H87  1  0.625055  0.708451  0.812662  1
  H  H88  1  0.499899  0.833568  0.062605  1
  H  H89  1  0.500030  0.833459  0.312541  1
  H  H90  1  0.500051  0.833434  0.562605  1
  H  H91  1  0.500030  0.833459  0.812670  1
  H  H92  1  0.374606  0.958620  0.062605  1
  H  H93  1  0.374994  0.958450  0.312513  1
  H  H94  1  0.375038  0.958415  0.562605  1
  H  H95  1  0.374994  0.958450  0.812698  1
  H  H96  1  0.392620  0.083462  0.062605  1
  H  H97  1  0.392869  0.083412  0.312529  1
  H  H98  1  0.392909  0.083387  0.562605  1
  H  H99  1  0.392869  0.083412  0.812682  1
  H  H100  1  0.267742  0.208343  0.062605  1
  H  H101  1  0.267937  0.208434  0.312695  1
  H  H102  1  0.267900  0.208392  0.562605  1
  H  H103  1  0.267937  0.208434  0.812516  1
  H  H104  1  0.142815  0.333219  0.062605  1
  H  H105  1  0.142932  0.333418  0.312697  1
  H  H106  1  0.142883  0.333397  0.562605  1
  H  H107  1  0.142932  0.333418  0.812513  1
  H  H108  1  0.017872  0.458018  0.062605  1
  H  H109  1  0.017877  0.458322  0.312555  1
  H  H110  1  0.017868  0.458396  0.562605  1
  H  H111  1  0.017877  0.458322  0.812655  1
  H  H112  1  0.892935  0.583359  0.062605  1
  H  H113  1  0.892889  0.583416  0.312544  1
  H  H114  1  0.892884  0.583430  0.562605  1
  H  H115  1  0.892889  0.583416  0.812666  1
  H  H116  1  0.767973  0.708516  0.062605  1
  H  H117  1  0.767908  0.708451  0.312542  1
  H  H118  1  0.767900  0.708440  0.562605  1
  H  H119  1  0.767908  0.708451  0.812668  1
  H  H120  1  0.642972  0.833562  0.062605  1
  H  H121  1  0.642920  0.833456  0.312540  1
  H  H122  1  0.642911  0.833432  0.562605  1
  H  H123  1  0.642920  0.833456  0.812670  1
  H  H124  1  0.517873  0.958531  0.062605  1
  H  H125  1  0.517910  0.958436  0.312534  1
  H  H126  1  0.517916  0.958415  0.562605  1
  H  H127  1  0.517910  0.958436  0.812677  1
  H  H128  1  0.536029  0.083470  0.062605  1
  H  H129  1  0.535821  0.083417  0.312529  1
  H  H130  1  0.535799  0.083390  0.562605  1
  H  H131  1  0.535821  0.083417  0.812682  1
  H  H132  1  0.410783  0.208397  0.062605  1
  H  H133  1  0.410769  0.208427  0.312643  1
  H  H134  1  0.410777  0.208401  0.562605  1
  H  H135  1  0.410769  0.208427  0.812567  1
  H  H136  1  0.285745  0.333384  0.062605  1
  H  H137  1  0.285777  0.333440  0.312654  1
  H  H138  1  0.285764  0.333414  0.562605  1
  H  H139  1  0.285777  0.333440  0.812557  1
  H  H140  1  0.160723  0.458339  0.062605  1
  H  H141  1  0.160757  0.458406  0.312639  1
  H  H142  1  0.160745  0.458412  0.562605  1
  H  H143  1  0.160757  0.458406  0.812572  1
  H  H144  1  0.035721  0.583337  0.062605  1
  H  H145  1  0.035735  0.583356  0.312600  1
  H  H146  1  0.035733  0.583414  0.562605  1
  H  H147  1  0.035735  0.583356  0.812610  1
  H  H148  1  0.910840  0.708713  0.062605  1
  H  H149  1  0.910758  0.708476  0.312532  1
  H  H150  1  0.910735  0.708454  0.562605  1
  H  H151  1  0.910758  0.708476  0.812679  1
  H  H152  1  0.785989  0.833710  0.062605  1
  H  H153  1  0.785794  0.833466  0.312514  1
  H  H154  1  0.785760  0.833447  0.562605  1
  H  H155  1  0.785794  0.833466  0.812697  1
  H  H156  1  0.661055  0.958622  0.062605  1
  H  H157  1  0.660807  0.958453  0.312512  1
  H  H158  1  0.660790  0.958416  0.562605  1
  H  H159  1  0.660807  0.958453  0.812699  1
  H  H160  1  0.679683  0.083547  0.062605  1
  H  H161  1  0.678769  0.083437  0.312484  1
  H  H162  1  0.678686  0.083373  0.562605  1
  H  H163  1  0.678769  0.083437  0.812726  1
  H  H164  1  0.553852  0.208369  0.062605  1
  H  H165  1  0.553582  0.208453  0.312693  1
  H  H166  1  0.553656  0.208403  0.562605  1
  H  H167  1  0.553582  0.208453  0.812517  1
  H  H168  1  0.428675  0.333408  0.062605  1
  H  H169  1  0.428599  0.333457  0.312652  1
  H  H170  1  0.428633  0.333423  0.562605  1
  H  H171  1  0.428599  0.333457  0.812559  1
  H  H172  1  0.303623  0.458424  0.062605  1
  H  H173  1  0.303624  0.458434  0.312637  1
  H  H174  1  0.303623  0.458428  0.562605  1
  H  H175  1  0.303624  0.458434  0.812573  1
  H  H176  1  0.178580  0.583433  0.062605  1
  H  H177  1  0.178626  0.583377  0.312642  1
  H  H178  1  0.178610  0.583423  0.562605  1
  H  H179  1  0.178626  0.583377  0.812569  1
  H  H180  1  0.053566  0.708583  0.062605  1
  H  H181  1  0.053629  0.708345  0.312678  1
  H  H182  1  0.053595  0.708437  0.562605  1
  H  H183  1  0.053629  0.708345  0.812532  1
  H  H184  1  0.928884  0.834356  0.062605  1
  H  H185  1  0.928653  0.833542  0.312483  1
  H  H186  1  0.928576  0.833478  0.562605  1
  H  H187  1  0.928653  0.833542  0.812727  1
  H  H188  1  0.804214  0.958898  0.062605  1
  H  H189  1  0.803671  0.958459  0.312407  1
  H  H190  1  0.803654  0.958444  0.562605  1
  H  H191  1  0.803671  0.958459  0.812803  1
  H  H192  1  0.824868  0.083712  0.062605  1
  H  H193  1  0.821780  0.083286  0.312176  1
  H  H194  1  0.821511  0.083418  0.562605  1
  H  H195  1  0.821780  0.083286  0.813034  1
  H  H196  1  0.697143  0.208111  0.062605  1
  H  H197  1  0.696442  0.208443  0.312824  1
  H  H198  1  0.696569  0.208381  0.562605  1
  H  H199  1  0.696442  0.208443  0.812387  1
  H  H200  1  0.571720  0.333274  0.062605  1
  H  H201  1  0.571442  0.333458  0.312692  1
  H  H202  1  0.571517  0.333418  0.562605  1
  H  H203  1  0.571442  0.333458  0.812519  1
  H  H204  1  0.446557  0.458409  0.062605  1
  H  H205  1  0.446484  0.458458  0.312628  1
  H  H206  1  0.446500  0.458435  0.562605  1
  H  H207  1  0.446484  0.458458  0.812582  1
  H  H208  1  0.321447  0.583497  0.062605  1
  H  H209  1  0.321497  0.583428  0.312626  1
  H  H210  1  0.321485  0.583442  0.562605  1
  H  H211  1  0.321497  0.583428  0.812584  1
  H  H212  1  0.196314  0.708631  0.062605  1
  H  H213  1  0.196492  0.708370  0.312686  1
  H  H214  1  0.196468  0.708448  0.562605  1
  H  H215  1  0.196492  0.708370  0.812524  1
  H  H216  1  0.071202  0.834016  0.062605  1
  H  H217  1  0.071490  0.833362  0.312817  1
  H  H218  1  0.071441  0.833491  0.562605  1
  H  H219  1  0.071490  0.833362  0.812393  1
  H  H220  1  0.947234  0.961355  0.062605  1
  H  H221  1  0.946371  0.958688  0.312175  1
  H  H222  1  0.946486  0.958439  0.562605  1
  H  H223  1  0.946371  0.958688  0.813036  1
  H  H224  1  0.052130  0.042431  0.185522  1
  H  H225  1  0.053583  0.041761  0.437462  1
  H  H226  1  0.053583  0.041761  0.687748  1
  H  H227  1  0.052130  0.042431  0.939688  1
  H  H228  1  0.929221  0.165332  0.185525  1
  H  H229  1  0.928639  0.166701  0.437464  1
  H  H230  1  0.928639  0.166701  0.687747  1
  H  H231  1  0.929221  0.165332  0.939686  1
  H  H232  1  0.803872  0.291189  0.187348  1
  H  H233  1  0.803676  0.291653  0.437466  1
  H  H234  1  0.803676  0.291653  0.687745  1
  H  H235  1  0.803872  0.291189  0.937863  1
  H  H236  1  0.678798  0.416491  0.187484  1
  H  H237  1  0.678668  0.416709  0.437548  1
  H  H238  1  0.678668  0.416709  0.687663  1
  H  H239  1  0.678798  0.416491  0.937726  1
  H  H240  1  0.553697  0.541713  0.187542  1
  H  H241  1  0.553647  0.541757  0.437569  1
  H  H242  1  0.553647  0.541757  0.687642  1
  H  H243  1  0.553697  0.541713  0.937668  1
  H  H244  1  0.428564  0.666853  0.187541  1
  H  H245  1  0.428617  0.666790  0.437568  1
  H  H246  1  0.428617  0.666790  0.687642  1
  H  H247  1  0.428564  0.666853  0.937669  1
  H  H248  1  0.303348  0.791957  0.187482  1
  H  H249  1  0.303577  0.791808  0.437546  1
  H  H250  1  0.303577  0.791808  0.687664  1
  H  H251  1  0.303348  0.791957  0.937728  1
  H  H252  1  0.178040  0.917037  0.187346  1
  H  H253  1  0.178527  0.916811  0.437463  1
  H  H254  1  0.178527  0.916811  0.687747  1
  H  H255  1  0.178040  0.917037  0.937865  1
  H  H256  1  0.195903  0.042015  0.187345  1
  H  H257  1  0.196384  0.041785  0.437463  1
  H  H258  1  0.196384  0.041785  0.687747  1
  H  H259  1  0.195903  0.042015  0.937866  1
  H  H260  1  0.072045  0.167168  0.188177  1
  H  H261  1  0.071425  0.166698  0.437421  1
  H  H262  1  0.071425  0.166698  0.687790  1
  H  H263  1  0.072045  0.167168  0.937034  1
  H  H264  1  0.946703  0.291166  0.187350  1
  H  H265  1  0.946504  0.291644  0.437468  1
  H  H266  1  0.946504  0.291644  0.687743  1
  H  H267  1  0.946703  0.291166  0.937861  1
  H  H268  1  0.821647  0.416345  0.187495  1
  H  H269  1  0.821511  0.416668  0.437548  1
  H  H270  1  0.821511  0.416668  0.687663  1
  H  H271  1  0.821647  0.416345  0.937715  1
  H  H272  1  0.696581  0.541590  0.187538  1
  H  H273  1  0.696503  0.541724  0.437568  1
  H  H274  1  0.696503  0.541724  0.687643  1
  H  H275  1  0.696581  0.541590  0.937673  1
  H  H276  1  0.571477  0.666780  0.187549  1
  H  H277  1  0.571482  0.666769  0.437572  1
  H  H278  1  0.571482  0.666769  0.687639  1
  H  H279  1  0.571477  0.666780  0.937662  1
  H  H280  1  0.446310  0.791902  0.187536  1
  H  H281  1  0.446448  0.791795  0.437566  1
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  H  H359  1  0.499937  0.166806  0.937595  1
  H  H360  1  0.375037  0.291819  0.187620  1
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  H  H364  1  0.250073  0.416799  0.187618  1
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  H  H370  1  0.125031  0.541759  0.687590  1
  H  H371  1  0.125059  0.541695  0.937602  1
  H  H372  1  0.000055  0.666540  0.187601  1
  H  H373  1  1.000021  0.666737  0.437606  1
  H  H374  1  1.000021  0.666737  0.687605  1
  H  H375  1  0.000055  0.666540  0.937610  1
  H  H376  1  0.875170  0.791900  0.187479  1
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  H  H388  1  0.642408  0.166961  0.187732  1
  H  H389  1  0.642932  0.166729  0.437653  1
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  H  H391  1  0.642408  0.166961  0.937478  1
  H  H392  1  0.517691  0.291888  0.187637  1
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  H  H395  1  0.517691  0.291888  0.937574  1
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  H  H442  1  0.160771  0.791774  0.687560  1
  H  H443  1  0.161002  0.791280  0.937480  1
  H  H444  1  0.036137  0.915854  0.188173  1
  H  H445  1  0.035727  0.916828  0.437417  1
  H  H446  1  0.035727  0.916828  0.687793  1
  H  H447  1  0.036137  0.915854  0.937038  1
