# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.63300338
_cell_length_b   23.82816201
_cell_length_c   47.69551928
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.58167935
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H720
_cell_volume   15466.2949817
_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  0.500575  0.935143  0.318973  1
  H  H2  1  0.029389  0.919450  0.325657  1
  H  H3  1  0.257328  0.925226  0.323360  1
  H  H4  1  0.359829  0.590271  0.324188  1
  H  H5  1  0.255515  0.891856  0.278245  1
  H  H6  1  0.548579  0.604270  0.317784  1
  H  H7  1  0.727275  0.942405  0.315933  1
  H  H8  1  0.849796  0.591693  0.326317  1
  H  H9  1  0.784697  0.875830  0.284213  1
  H  H10  1  0.071953  0.599047  0.321812  1
  H  H11  1  0.202619  0.250306  0.326266  1
  H  H12  1  0.120358  0.535109  0.287187  1
  H  H13  1  0.430099  0.256259  0.325228  1
  H  H14  1  0.419149  0.231662  0.280120  1
  H  H15  1  0.672848  0.265827  0.320182  1
  H  H16  1  0.609205  0.547067  0.284234  1
  H  H17  1  0.900088  0.273315  0.316700  1
  H  H18  1  0.957647  0.206700  0.284876  1
  H  H19  1  0.530617  0.698627  0.301405  1
  H  H20  1  0.053203  0.690789  0.307688  1
  H  H21  1  0.218854  0.610748  0.297765  1
  H  H22  1  0.399193  0.347105  0.307968  1
  H  H23  1  0.329222  0.688472  0.306312  1
  H  H24  1  0.541251  0.292566  0.292122  1
  H  H25  1  0.714232  0.616135  0.298287  1
  H  H26  1  0.879820  0.366483  0.302035  1
  H  H27  1  0.834395  0.684323  0.310784  1
  H  H28  1  0.066937  0.276745  0.298721  1
  H  H29  1  0.230214  0.018755  0.308067  1
  H  H30  1  0.185667  0.344940  0.312312  1
  H  H31  1  0.367565  0.962012  0.291073  1
  H  H32  1  0.478877  0.031577  0.304821  1
  H  H33  1  0.705368  0.035938  0.300986  1
  H  H34  1  0.652747  0.359844  0.305602  1
  H  H35  1  0.894086  0.945594  0.298000  1
  H  H36  1  1.010658  0.014317  0.311388  1
  H  H37  1  0.638454  0.775816  0.316180  1
  H  H38  1  0.170332  0.760120  0.322909  1
  H  H39  1  0.188346  0.708212  0.281817  1
  H  H40  1  0.505647  0.423134  0.323652  1
  H  H41  1  0.418393  0.767659  0.319178  1
  H  H42  1  0.510048  0.389556  0.279178  1
  H  H43  1  0.693745  0.710506  0.284329  1
  H  H44  1  0.989128  0.437685  0.318930  1
  H  H45  1  0.939087  0.755287  0.325988  1
  H  H46  1  0.044834  0.372993  0.285927  1
  H  H47  1  0.343790  0.091290  0.324436  1
  H  H48  1  0.291817  0.416337  0.327082  1
  H  H49  1  0.336327  0.064059  0.279371  1
  H  H50  1  0.586438  0.101025  0.319417  1
  H  H51  1  0.813606  0.108089  0.316176  1
  H  H52  1  0.761843  0.429386  0.321311  1
  H  H53  1  0.871114  0.041076  0.284469  1
  H  H54  1  0.115605  0.085054  0.325917  1
  H  H55  1  0.619556  0.869213  0.300902  1
  H  H56  1  0.145088  0.853246  0.307849  1
  H  H57  1  0.283452  0.790411  0.291389  1
  H  H58  1  0.460598  0.515449  0.304013  1
  H  H59  1  0.394568  0.863743  0.304619  1
  H  H60  1  0.628147  0.453019  0.293131  1
  H  H61  1  0.804385  0.780485  0.297851  1
  H  H62  1  0.961120  0.529750  0.305351  1
  H  H63  1  0.923743  0.848997  0.311152  1
  H  H64  1  0.154208  0.441298  0.300361  1
  H  H65  1  0.315523  0.183746  0.308378  1
  H  H66  1  0.267616  0.511936  0.312632  1
  H  H67  1  0.453754  0.129569  0.291554  1
  H  H68  1  0.564880  0.196900  0.305335  1
  H  H69  1  0.791621  0.201593  0.301363  1
  H  H70  1  0.754453  0.520729  0.308762  1
  H  H71  1  0.979992  0.111115  0.298320  1
  H  H72  1  0.097236  0.179793  0.311672  1
  H  H73  1  0.518624  0.874491  0.380077  1
  H  H74  1  0.989673  0.889438  0.372477  1
  H  H75  1  0.154035  0.890789  0.355414  1
  H  H76  1  0.336848  0.547532  0.377672  1
  H  H77  1  0.390774  0.900573  0.350832  1
  H  H78  1  0.480353  0.561267  0.354729  1
  H  H79  1  0.624918  0.906694  0.348484  1
  H  H80  1  0.813846  0.557076  0.373651  1
  H  H81  1  0.861205  0.914898  0.343891  1
  H  H82  1  0.974951  0.562668  0.355290  1
  H  H83  1  0.162090  0.219819  0.373185  1
  H  H84  1  0.211957  0.572939  0.347821  1
  H  H85  1  0.325909  0.221349  0.356264  1
  H  H86  1  0.563753  0.231674  0.351907  1
  H  H87  1  0.691540  0.205293  0.380712  1
  H  H88  1  0.688132  0.579747  0.344170  1
  H  H89  1  0.797430  0.237410  0.349240  1
  H  H90  1  0.034179  0.245294  0.344528  1
  H  H91  1  0.441768  0.667967  0.338692  1
  H  H92  1  0.953858  0.659053  0.342142  1
  H  H93  1  0.195396  0.667205  0.335697  1
  H  H94  1  0.305792  0.318080  0.343288  1
  H  H95  1  0.321712  0.639884  0.365209  1
  H  H96  1  0.539211  0.327747  0.337646  1
  H  H97  1  0.663868  0.679236  0.331168  1
  H  H98  1  0.775799  0.333837  0.335628  1
  H  H99  1  0.792991  0.654008  0.358826  1
  H  H100  1  1.013454  0.341707  0.331788  1
  H  H101  1  0.132594  0.986993  0.341973  1
  H  H102  1  0.142495  0.314456  0.359220  1
  H  H103  1  0.368255  -0.003910  0.336958  1
  H  H104  1  0.497158  0.969898  0.365648  1
  H  H105  1  0.603318  0.003452  0.334601  1
  H  H106  1  0.668753  0.301543  0.366500  1
  H  H107  1  0.839279  0.011607  0.330696  1
  H  H108  1  0.968640  0.984542  0.358252  1
  H  H109  1  0.539895  0.740094  0.349328  1
  H  H110  1  0.066030  0.726346  0.355199  1
  H  H111  1  0.306029  0.734733  0.350221  1
  H  H112  1  0.413563  0.387303  0.357220  1
  H  H113  1  0.432465  0.709913  0.380925  1
  H  H114  1  0.642820  0.399293  0.350583  1
  H  H115  1  0.773508  0.749224  0.343993  1
  H  H116  1  0.885714  0.400522  0.350419  1
  H  H117  1  0.901875  0.725082  0.372937  1
  H  H118  1  0.124987  0.409280  0.346092  1
  H  H119  1  0.239678  0.056222  0.355806  1
  H  H120  1  0.252410  0.384251  0.374752  1
  H  H121  1  0.477347  0.066040  0.351345  1
  H  H122  1  0.605162  0.039719  0.380211  1
  H  H123  1  0.711230  0.072136  0.348687  1
  H  H124  1  0.771389  0.372983  0.380195  1
  H  H125  1  0.947538  0.080195  0.344127  1
  H  H126  1  0.075837  0.054611  0.372707  1
  H  H127  1  0.517506  0.837769  0.334821  1
  H  H128  1  0.045903  0.821828  0.341696  1
  H  H129  1  0.282884  0.830102  0.336520  1
  H  H130  1  0.389273  0.486265  0.344024  1
  H  H131  1  0.411077  0.804331  0.365586  1
  H  H132  1  0.600141  0.502988  0.333043  1
  H  H133  1  0.752774  0.846019  0.330672  1
  H  H134  1  0.869385  0.495059  0.341322  1
  H  H135  1  0.881648  0.819787  0.358399  1
  H  H136  1  0.101382  0.505353  0.334317  1
  H  H137  1  0.218472  0.152460  0.342469  1
  H  H138  1  0.231531  0.478420  0.361385  1
  H  H139  1  0.454424  0.161567  0.337583  1
  H  H140  1  0.583615  0.135431  0.366077  1
  H  H141  1  0.689690  0.168850  0.335032  1
  H  H142  1  0.726255  0.477123  0.362205  1
  H  H143  1  0.925526  0.177031  0.331069  1
  H  H144  1  0.054758  0.149829  0.358613  1
  H  H145  1  0.412041  0.840926  0.411722  1
  H  H146  1  0.883300  0.855707  0.404601  1
  H  H147  1  0.119014  0.862667  0.401049  1
  H  H148  1  0.234130  0.511666  0.410240  1
  H  H149  1  0.284158  0.866367  0.383058  1
  H  H150  1  0.468498  0.521387  0.405075  1
  H  H151  1  0.648457  0.848813  0.408135  1
  H  H152  1  0.739577  0.512739  0.410348  1
  H  H153  1  0.754524  0.881732  0.376425  1
  H  H154  1  0.944275  0.529868  0.401236  1
  H  H155  1  0.055526  0.185940  0.405091  1
  H  H156  1  0.107138  0.537893  0.381860  1
  H  H157  1  0.291220  0.193222  0.401803  1
  H  H158  1  0.456775  0.197232  0.383887  1
  H  H159  1  0.585227  0.171461  0.412282  1
  H  H160  1  0.611759  0.538847  0.381907  1
  H  H161  1  0.821205  0.179281  0.408610  1
  H  H162  1  0.927101  0.212053  0.376971  1
  H  H163  1  0.452371  0.615203  0.393733  1
  H  H164  1  0.922860  0.628061  0.387238  1
  H  H165  1  0.087325  0.632205  0.368299  1
  H  H166  1  0.270768  0.288579  0.388147  1
  H  H167  1  0.213705  0.606906  0.396767  1
  H  H168  1  0.436192  0.292392  0.370723  1
  H  H169  1  0.569963  0.640452  0.364566  1
  H  H170  1  0.798618  0.275647  0.394795  1
  H  H171  1  0.695853  0.618233  0.392286  1
  H  H172  1  0.905202  0.306641  0.363152  1
  H  H173  1  0.097472  0.958367  0.387121  1
  H  H174  1  0.033889  0.281284  0.391063  1
  H  H175  1  0.262846  0.961342  0.369425  1
  H  H176  1  0.391113  0.936299  0.397492  1
  H  H177  1  0.626746  0.944300  0.394049  1
  H  H178  1  0.564628  0.267254  0.398508  1
  H  H179  1  0.733106  0.976644  0.362346  1
  H  H180  1  0.862089  0.951266  0.390355  1
  H  H181  1  0.562966  0.683708  0.408416  1
  H  H182  1  0.032052  0.697596  0.400949  1
  H  H183  1  0.196748  0.701676  0.382703  1
  H  H184  1  0.381577  0.357751  0.403263  1
  H  H185  1  0.323992  0.675913  0.411583  1
  H  H186  1  0.544612  0.363392  0.384686  1
  H  H187  1  0.669052  0.715688  0.376944  1
  H  H188  1  0.902728  0.346668  0.408104  1
  H  H189  1  0.797698  0.690152  0.405050  1
  H  H190  1  0.015211  0.375484  0.377774  1
  H  H191  1  0.205115  0.027909  0.401346  1
  H  H192  1  0.142674  0.349841  0.405769  1
  H  H193  1  0.370258  0.031774  0.383378  1
  H  H194  1  0.498557  0.006120  0.411872  1
  H  H195  1  0.734883  0.013818  0.408185  1
  H  H196  1  0.672671  0.337365  0.413228  1
  H  H197  1  0.841068  0.046850  0.376535  1
  H  H198  1  0.969689  0.020732  0.404674  1
  H  H199  1  0.540749  0.779308  0.394271  1
  H  H200  1  1.010956  0.793472  0.387015  1
  H  H201  1  0.176791  0.795985  0.369024  1
  H  H202  1  0.361204  0.452794  0.390045  1
  H  H203  1  0.304313  0.771106  0.397324  1
  H  H204  1  0.522476  0.460447  0.370357  1
  H  H205  1  0.646941  0.811105  0.362429  1
  H  H206  1  0.856736  0.451740  0.390221  1
  H  H207  1  0.775399  0.786157  0.390507  1
  H  H208  1  1.001054  0.468089  0.367378  1
  H  H209  1  0.183481  0.123684  0.387522  1
  H  H210  1  0.129099  0.443282  0.394853  1
  H  H211  1  0.348958  0.126826  0.370042  1
  H  H212  1  0.477628  0.101581  0.397856  1
  H  H213  1  0.713250  0.109541  0.394331  1
  H  H214  1  0.650611  0.434864  0.398906  1
  H  H215  1  0.819430  0.141936  0.362688  1
  H  H216  1  0.948293  0.116475  0.390660  1
  H  H217  1  0.377080  0.811750  0.458007  1
  H  H218  1  0.906599  0.796943  0.464917  1
  H  H219  1  1.012145  0.829791  0.433053  1
  H  H220  1  0.202525  0.478467  0.457462  1
  H  H221  1  0.248259  0.837202  0.429442  1
  H  H222  1  0.363614  0.486093  0.438175  1
  H  H223  1  0.541337  0.815369  0.440197  1
  H  H224  1  0.726661  0.469779  0.461792  1
  H  H225  1  0.777553  0.822840  0.436540  1
  H  H226  1  0.868843  0.487118  0.438369  1
  H  H227  1  0.079002  0.127245  0.465282  1
  H  H228  1  0.073611  0.504324  0.429253  1
  H  H229  1  0.184132  0.160053  0.433558  1
  H  H230  1  0.420766  0.167508  0.429943  1
  H  H231  1  0.549833  0.141814  0.458281  1
  H  H232  1  0.597214  0.495653  0.433575  1
  H  H233  1  0.714503  0.145597  0.440519  1
  H  H234  1  0.950111  0.153210  0.436925  1
  H  H235  1  0.343268  0.581073  0.424912  1
  H  H236  1  0.823216  0.592557  0.420206  1
  H  H237  1  0.052623  0.601640  0.414935  1
  H  H238  1  0.162132  0.255282  0.419532  1
  H  H239  1  0.181803  0.575980  0.443215  1
  H  H240  1  0.400034  0.262712  0.416256  1
  H  H241  1  0.582601  0.589004  0.422116  1
  H  H242  1  0.693486  0.241401  0.426809  1
  H  H243  1  0.712249  0.563156  0.450565  1
  H  H244  1  0.928066  0.249451  0.422954  1
  H  H245  1  0.990697  0.925142  0.418862  1
  H  H246  1  0.056891  0.223320  0.451291  1
  H  H247  1  0.226924  0.932385  0.415336  1
  H  H248  1  0.355968  0.907013  0.443792  1
  H  H249  1  0.519926  0.910742  0.425995  1
  H  H250  1  0.529190  0.237221  0.444454  1
  H  H251  1  0.756214  0.918312  0.422349  1
  H  H252  1  0.885151  0.892317  0.450713  1
  H  H253  1  0.453883  0.650369  0.439825  1
  H  H254  1  0.926679  0.664209  0.433234  1
  H  H255  1  0.161079  0.672124  0.429318  1
  H  H256  1  0.270621  0.324191  0.434108  1
  H  H257  1  0.290177  0.646210  0.457656  1
  H  H258  1  0.511095  0.332223  0.431384  1
  H  H259  1  0.692034  0.657953  0.436847  1
  H  H260  1  0.802145  0.311602  0.441372  1
  H  H261  1  0.821248  0.632045  0.465061  1
  H  H262  1  0.032193  0.320347  0.436553  1
  H  H263  1  0.098360  -0.005184  0.433184  1
  H  H264  1  0.161333  0.294292  0.464978  1
  H  H265  1  0.334579  0.002313  0.429625  1
  H  H266  1  0.463580  0.976695  0.458082  1
  H  H267  1  0.627792  0.980354  0.440202  1
  H  H268  1  0.640169  0.306424  0.459708  1
  H  H269  1  0.863913  0.987789  0.436553  1
  H  H270  1  0.992826  0.961869  0.464953  1
  H  H271  1  0.433214  0.745837  0.426137  1
  H  H272  1  0.904455  0.760174  0.418981  1
  H  H273  1  0.140317  0.767347  0.415161  1
  H  H274  1  0.257137  0.417425  0.422982  1
  H  H275  1  0.269273  0.741956  0.443658  1
  H  H276  1  0.490807  0.427084  0.417984  1
  H  H277  1  0.670107  0.753307  0.422525  1
  H  H278  1  0.780523  0.408904  0.427151  1
  H  H279  1  0.799190  0.727380  0.450828  1
  H  H280  1  0.986458  0.425757  0.418178  1
  H  H281  1  0.076773  0.090313  0.419145  1
  H  H282  1  0.115303  0.399772  0.446399  1
  H  H283  1  0.312990  0.097633  0.415689  1
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  H  H625  1  1.002633  0.814034  0.631806  1
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  H  H627  1  0.367197  0.796939  0.655481  1
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  H  H629  1  0.531151  0.799390  0.639202  1
  H  H630  1  0.660512  0.772324  0.666758  1
  H  H631  1  0.173883  0.562582  0.641190  1
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  H  H633  1  0.808251  0.578639  0.616742  1
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  H  H665  1  0.354703  0.930686  0.689605  1
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  H  H719  1  0.470402  0.864481  0.671798  1
  H  H720  1  0.715095  0.908101  0.713241  1
