# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.76734475
_cell_length_b   23.68293418
_cell_length_c   47.96990503
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.41012729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H720
_cell_volume   14476.1124258
_cell_formula_units_Z   360
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  0.658230  0.520323  0.305560  1
  H  H2  1  0.991563  0.186989  0.305560  1
  H  H3  1  1.012084  0.532310  0.291468  1
  H  H4  1  0.308082  0.511996  0.321966  1
  H  H5  1  0.641416  0.178663  0.321966  1
  H  H6  1  0.974749  0.845329  0.321966  1
  H  H7  1  0.324896  0.853656  0.305560  1
  H  H8  1  0.345418  0.198976  0.291468  1
  H  H9  1  0.678751  0.865643  0.291468  1
  H  H10  1  0.634366  0.614440  0.293267  1
  H  H11  1  0.967700  0.281107  0.293267  1
  H  H12  1  0.930607  0.593672  0.323964  1
  H  H13  1  0.282447  0.603726  0.308478  1
  H  H14  1  0.615780  0.270392  0.308478  1
  H  H15  1  0.949114  0.937059  0.308478  1
  H  H16  1  0.301033  -0.052226  0.293267  1
  H  H17  1  0.263940  0.260339  0.323964  1
  H  H18  1  0.597273  0.927006  0.323964  1
  H  H19  1  0.553026  0.675735  0.325740  1
  H  H20  1  0.886359  0.342402  0.325740  1
  H  H21  1  0.905773  0.684492  0.310562  1
  H  H22  1  0.256692  0.696217  0.294955  1
  H  H23  1  0.590026  0.362884  0.294955  1
  H  H24  1  0.923359  0.029551  0.294955  1
  H  H25  1  0.219693  0.009069  0.325740  1
  H  H26  1  0.239107  0.351159  0.310562  1
  H  H27  1  0.572440  0.017825  0.310562  1
  H  H28  1  0.529053  0.766494  0.312190  1
  H  H29  1  0.862386  0.433161  0.312190  1
  H  H30  1  0.879764  0.775095  0.297242  1
  H  H31  1  0.175090  0.758027  0.327295  1
  H  H32  1  0.508423  0.424693  0.327295  1
  H  H33  1  0.841756  0.091360  0.327295  1
  H  H34  1  0.195720  0.099828  0.312190  1
  H  H35  1  0.213097  0.441762  0.297242  1
  H  H36  1  0.546431  0.108429  0.297242  1
  H  H37  1  0.484463  0.515349  0.313954  1
  H  H38  1  0.817797  0.182016  0.313954  1
  H  H39  1  0.834892  0.523674  0.299087  1
  H  H40  1  0.195542  0.535453  0.284479  1
  H  H41  1  0.528875  0.202120  0.284479  1
  H  H42  1  0.862209  0.868787  0.284479  1
  H  H43  1  1.151130  0.848682  0.313954  1
  H  H44  1  0.168225  0.190341  0.299087  1
  H  H45  1  0.501558  0.857008  0.299087  1
  H  H46  1  0.457035  0.605407  0.300709  1
  H  H47  1  0.790368  0.272074  0.300709  1
  H  H48  1  0.818420  0.617224  0.286277  1
  H  H49  1  1.106228  0.598365  0.316126  1
  H  H50  1  0.439561  0.265032  0.316126  1
  H  H51  1  0.772894  0.931699  0.316126  1
  H  H52  1  1.123702  0.938740  0.300709  1
  H  H53  1  1.151753  0.283891  0.286277  1
  H  H54  1  0.485086  -0.049442  0.286277  1
  H  H55  1  0.440034  0.698916  0.288137  1
  H  H56  1  0.773367  0.365583  0.288137  1
  H  H57  1  0.728734  0.681193  0.317664  1
  H  H58  1  1.079474  0.688120  0.302241  1
  H  H59  1  0.412807  0.354786  0.302241  1
  H  H60  1  0.746141  0.021453  0.302241  1
  H  H61  1  1.106701  0.032249  0.288137  1
  H  H62  1  1.062067  0.347860  0.317664  1
  H  H63  1  0.395400  0.014526  0.317664  1
  H  H64  1  0.351328  0.763347  0.319415  1
  H  H65  1  0.684662  0.430013  0.319415  1
  H  H66  1  0.702765  0.771484  0.303745  1
  H  H67  1  1.059236  0.782637  0.289772  1
  H  H68  1  0.392569  0.449304  0.289772  1
  H  H69  1  0.725903  0.115971  0.289772  1
  H  H70  1  1.017995  0.096680  0.319415  1
  H  H71  1  1.036098  0.438151  0.303745  1
  H  H72  1  0.369431  0.104817  0.303745  1
  H  H73  1  0.602005  0.493715  0.351264  1
  H  H74  1  0.935338  0.160382  0.351264  1
  H  H75  1  0.954564  0.502384  0.336507  1
  H  H76  1  0.248828  0.484534  0.366030  1
  H  H77  1  0.582161  0.151200  0.366030  1
  H  H78  1  0.915494  0.817867  0.366030  1
  H  H79  1  0.268672  0.827049  0.351264  1
  H  H80  1  0.287897  0.169051  0.336507  1
  H  H81  1  0.621230  0.835717  0.336507  1
  H  H82  1  0.577026  0.584573  0.338294  1
  H  H83  1  0.910359  0.251240  0.338294  1
  H  H84  1  0.871304  0.566663  0.367892  1
  H  H85  1  0.224281  0.575848  0.353057  1
  H  H86  1  0.557614  0.242514  0.353057  1
  H  H87  1  0.890947  0.909181  0.353057  1
  H  H88  1  0.243692  0.917906  0.338294  1
  H  H89  1  0.204637  0.233329  0.367892  1
  H  H90  1  0.537971  0.899996  0.367892  1
  H  H91  1  0.493968  0.648920  0.369756  1
  H  H92  1  0.827302  0.315587  0.369756  1
  H  H93  1  0.846599  0.657984  0.354927  1
  H  H94  1  0.199356  0.667099  0.340236  1
  H  H95  1  0.532689  0.333766  0.340236  1
  H  H96  1  0.866022  0.000432  0.340236  1
  H  H97  1  1.160635  -0.017746  0.369756  1
  H  H98  1  0.179932  0.324650  0.354927  1
  H  H99  1  0.513265  -0.008683  0.354927  1
  H  H100  1  0.469322  0.740230  0.356712  1
  H  H101  1  0.802655  0.406897  0.356712  1
  H  H102  1  0.821919  0.749295  0.342115  1
  H  H103  1  1.116565  0.731179  0.371628  1
  H  H104  1  0.449899  0.397845  0.371628  1
  H  H105  1  0.783232  0.064512  0.371628  1
  H  H106  1  1.135989  0.073564  0.356712  1
  H  H107  1  1.155253  0.415962  0.342115  1
  H  H108  1  0.488586  0.082629  0.342115  1
  H  H109  1  0.425517  0.489036  0.358667  1
  H  H110  1  0.758850  0.155703  0.358667  1
  H  H111  1  0.777798  0.498108  0.343903  1
  H  H112  1  1.130796  0.506822  0.329086  1
  H  H113  1  0.464130  0.173488  0.329086  1
  H  H114  1  0.797463  0.840155  0.329086  1
  H  H115  1  1.092184  0.822370  0.358667  1
  H  H116  1  1.111131  0.164774  0.343903  1
  H  H117  1  0.444465  0.831441  0.343903  1
  H  H118  1  0.400784  0.580378  0.345881  1
  H  H119  1  0.734117  0.247045  0.345881  1
  H  H120  1  0.753122  0.589150  0.330874  1
  H  H121  1  1.048104  0.571149  0.360543  1
  H  H122  1  0.381438  0.237816  0.360543  1
  H  H123  1  0.714771  0.904482  0.360543  1
  H  H124  1  1.067450  0.913711  0.345881  1
  H  H125  1  1.086456  0.255816  0.330874  1
  H  H126  1  0.419789  0.922483  0.330874  1
  H  H127  1  0.375949  0.671619  0.332823  1
  H  H128  1  0.709283  0.338286  0.332823  1
  H  H129  1  0.670596  0.653387  0.362295  1
  H  H130  1  1.023341  0.662590  0.347828  1
  H  H131  1  0.356675  0.329257  0.347828  1
  H  H132  1  0.690008  -0.004077  0.347828  1
  H  H133  1  1.042616  0.004953  0.332823  1
  H  H134  1  1.003929  0.320053  0.362295  1
  H  H135  1  0.337263  -0.013280  0.362295  1
  H  H136  1  0.293079  0.735698  0.364111  1
  H  H137  1  0.626413  0.402364  0.364111  1
  H  H138  1  0.646163  0.744857  0.349484  1
  H  H139  1  0.998517  0.753652  0.334717  1
  H  H140  1  0.331850  0.420318  0.334717  1
  H  H141  1  0.665184  0.086985  0.334717  1
  H  H142  1  0.959746  0.069031  0.364111  1
  H  H143  1  0.979496  0.411524  0.349484  1
  H  H144  1  0.312829  0.078190  0.349484  1
  H  H145  1  0.543193  0.466425  0.395651  1
  H  H146  1  0.876527  0.133092  0.395651  1
  H  H147  1  0.895920  0.475456  0.380828  1
  H  H148  1  0.190282  0.457399  0.410513  1
  H  H149  1  0.523615  0.124066  0.410513  1
  H  H150  1  0.856949  0.790732  0.410513  1
  H  H151  1  0.209860  0.799758  0.395651  1
  H  H152  1  0.229254  0.142123  0.380828  1
  H  H153  1  0.562587  0.808790  0.380828  1
  H  H154  1  0.518623  0.557684  0.382700  1
  H  H155  1  0.851956  0.224351  0.382700  1
  H  H156  1  0.812827  0.539579  0.412359  1
  H  H157  1  0.165754  0.548642  0.397533  1
  H  H158  1  0.499087  0.215309  0.397533  1
  H  H159  1  0.832421  0.881976  0.397533  1
  H  H160  1  0.185289  0.891017  0.382700  1
  H  H161  1  1.146161  0.206246  0.412359  1
  H  H162  1  0.479494  0.872913  0.412359  1
  H  H163  1  0.435391  0.621795  0.414200  1
  H  H164  1  0.768725  0.288462  0.414200  1
  H  H165  1  0.788246  0.630825  0.399380  1
  H  H166  1  1.141199  0.639877  0.384582  1
  H  H167  1  0.474532  0.306544  0.384582  1
  H  H168  1  0.807866  -0.026790  0.384582  1
  H  H169  1  1.102058  -0.044871  0.414200  1
  H  H170  1  1.121580  0.297492  0.399380  1
  H  H171  1  0.454913  -0.035842  0.399380  1
  H  H172  1  0.410809  0.713040  0.401199  1
  H  H173  1  0.744142  0.379707  0.401199  1
  H  H174  1  0.763669  0.722064  0.386432  1
  H  H175  1  1.057955  0.703998  0.416062  1
  H  H176  1  0.391288  0.370664  0.416062  1
  H  H177  1  0.724622  0.037331  0.416062  1
  H  H178  1  1.077475  0.046374  0.401199  1
  H  H179  1  1.097002  0.388730  0.386432  1
  H  H180  1  0.430335  0.055397  0.386432  1
  H  H181  1  0.366706  0.461919  0.403086  1
  H  H182  1  0.700039  0.128585  0.403086  1
  H  H183  1  0.719572  0.470934  0.388257  1
  H  H184  1  1.072435  0.480039  0.373472  1
  H  H185  1  0.405768  0.146706  0.373472  1
  H  H186  1  0.739101  0.813372  0.373472  1
  H  H187  1  1.033373  0.795252  0.403086  1
  H  H188  1  1.052905  0.137600  0.388257  1
  H  H189  1  0.386238  0.804267  0.388257  1
  H  H190  1  0.342096  0.553151  0.390111  1
  H  H191  1  0.675430  0.219818  0.390111  1
  H  H192  1  0.694963  0.562233  0.375281  1
  H  H193  1  0.989243  0.544104  0.404950  1
  H  H194  1  0.322576  0.210770  0.404950  1
  H  H195  1  0.655910  0.877437  0.404950  1
  H  H196  1  1.008763  0.886484  0.390111  1
  H  H197  1  1.028296  0.228900  0.375281  1
  H  H198  1  0.361630  0.895567  0.375281  1
  H  H199  1  0.317479  0.644456  0.377118  1
  H  H200  1  0.650812  0.311122  0.377118  1
  H  H201  1  0.611843  0.626323  0.406784  1
  H  H202  1  0.964604  0.635320  0.391976  1
  H  H203  1  0.297937  0.301987  0.391976  1
  H  H204  1  0.631271  -0.031346  0.391976  1
  H  H205  1  0.984146  -0.022211  0.377118  1
  H  H206  1  0.945176  0.292989  0.406784  1
  H  H207  1  0.278509  -0.040344  0.406784  1
  H  H208  1  0.234429  0.708536  0.408632  1
  H  H209  1  0.567762  0.375203  0.408632  1
  H  H210  1  0.587205  0.717530  0.393770  1
  H  H211  1  0.940002  0.726634  0.379012  1
  H  H212  1  0.273335  0.393301  0.379012  1
  H  H213  1  0.606668  0.059967  0.379012  1
  H  H214  1  0.901095  0.041870  0.408632  1
  H  H215  1  0.920539  0.384197  0.393770  1
  H  H216  1  0.253872  0.050863  0.393770  1
  H  H217  1  0.484598  0.439317  0.440166  1
  H  H218  1  0.817931  0.105984  0.440166  1
  H  H219  1  0.837443  0.448333  0.425330  1
  H  H220  1  1.131736  0.430283  0.455012  1
  H  H221  1  0.465069  0.096950  0.455012  1
  H  H222  1  0.798402  0.763617  0.455012  1
  H  H223  1  1.151265  0.772650  0.440166  1
  H  H224  1  0.170776  0.115000  0.425330  1
  H  H225  1  0.504109  0.781667  0.425330  1
  H  H226  1  0.460011  0.530553  0.427184  1
  H  H227  1  0.793344  0.197219  0.427184  1
  H  H228  1  0.754303  0.512480  0.456864  1
  H  H229  1  1.107146  0.521522  0.442030  1
  H  H230  1  0.440480  0.188189  0.442030  1
  H  H231  1  0.773813  0.854855  0.442030  1
  H  H232  1  1.126677  0.863886  0.427184  1
  H  H233  1  1.087637  0.179147  0.456864  1
  H  H234  1  0.420970  0.845814  0.456864  1
  H  H235  1  0.376876  0.594691  0.458718  1
  H  H236  1  0.710209  0.261357  0.458718  1
  H  H237  1  0.729704  0.603723  0.443883  1
  H  H238  1  1.082556  0.612761  0.429050  1
  H  H239  1  0.415890  0.279428  0.429050  1
  H  H240  1  0.749223  -0.053906  0.429050  1
  H  H241  1  1.043543  0.928024  0.458718  1
  H  H242  1  1.063037  0.270390  0.443883  1
  H  H243  1  0.396370  0.937056  0.443883  1
  H  H244  1  0.352282  0.685931  0.445730  1
  H  H245  1  0.685615  0.352598  0.445730  1
  H  H246  1  0.705094  0.694963  0.430901  1
  H  H247  1  0.999433  0.676895  0.460577  1
  H  H248  1  0.332766  0.343562  0.460577  1
  H  H249  1  0.666099  0.010229  0.460577  1
  H  H250  1  1.018948  0.019265  0.445730  1
  H  H251  1  1.038427  0.361630  0.430901  1
  H  H252  1  0.371761  0.028296  0.430901  1
  H  H253  1  0.308175  0.434800  0.447594  1
  H  H254  1  0.641508  0.101467  0.447594  1
  H  H255  1  0.661020  0.443832  0.432753  1
  H  H256  1  1.013822  0.452859  0.417915  1
  H  H257  1  0.347156  0.119526  0.417915  1
  H  H258  1  0.680489  0.786193  0.417915  1
  H  H259  1  0.974841  0.768134  0.447594  1
  H  H260  1  0.994353  0.110498  0.432753  1
  H  H261  1  0.327687  0.777165  0.432753  1
  H  H262  1  0.283586  0.526044  0.434617  1
  H  H263  1  0.616920  0.192711  0.434617  1
  H  H264  1  0.636424  0.535071  0.419769  1
  H  H265  1  0.930723  0.516997  0.449450  1
  H  H266  1  0.264056  0.183664  0.449450  1
  H  H267  1  0.597390  0.850330  0.449450  1
  H  H268  1  0.950253  0.859378  0.434617  1
  H  H269  1  0.969757  0.201738  0.419769  1
  H  H270  1  0.303091  0.868405  0.419769  1
  H  H271  1  0.259009  0.617290  0.421632  1
  H  H272  1  0.592343  0.283956  0.421632  1
  H  H273  1  0.553286  0.599206  0.451295  1
  H  H274  1  0.906125  0.608239  0.436474  1
  H  H275  1  0.239458  0.274906  0.436474  1
  H  H276  1  0.572791  0.941572  0.436474  1
  H  H277  1  0.925676  -0.049377  0.421632  1
  H  H278  1  0.886619  0.265873  0.451295  1
  H  H279  1  0.219952  0.932539  0.451295  1
  H  H280  1  0.175855  0.681416  0.453151  1
  H  H281  1  0.509188  0.348083  0.453151  1
  H  H282  1  0.528687  0.690443  0.438305  1
  H  H283  1  0.881543  0.699479  0.423494  1
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  H  H630  1  1.010372  0.732862  0.642266  1
  H  H631  1  0.966370  0.481787  0.644129  1
  H  H632  1  0.299703  0.148453  0.644129  1
  H  H633  1  0.260648  0.463876  0.673727  1
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  H  H649  1  1.134909  0.276965  0.708276  1
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  H  H651  1  0.486345  0.285102  0.692607  1
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  H  H653  1  1.111771  0.932479  0.722250  1
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  H  H658  1  1.108940  0.367256  0.694357  1
  H  H659  1  0.442273  0.033923  0.694357  1
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  H  H662  1  1.091533  0.026996  0.709780  1
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  H  H667  1  1.019254  0.431225  0.725744  1
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  H  H671  1  1.064779  0.116750  0.695895  1
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  H  H720  1  0.846111  0.861460  0.706461  1
