# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.22433500
_cell_length_b   8.82237761
_cell_length_c   46.87078222
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   63.85828171
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H378
_cell_volume   6393.88650646
_cell_formula_units_Z   189
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  0.739624  0.064917  0.288505  1
  H  H2  1  0.578853  0.050111  0.295597  1
  H  H3  1  0.400395  0.079723  0.281413  1
  H  H4  1  0.406290  0.731584  0.288505  1
  H  H5  1  0.239624  0.064917  0.288505  1
  H  H6  1  0.245519  0.716778  0.295597  1
  H  H7  1  0.067061  0.746390  0.281413  1
  H  H8  1  0.078853  0.050111  0.295597  1
  H  H9  1  0.072957  0.398251  0.288505  1
  H  H10  1  0.900395  0.079723  0.281413  1
  H  H11  1  0.906290  0.731584  0.288505  1
  H  H12  1  0.912186  0.383445  0.295597  1
  H  H13  1  0.733728  0.413057  0.281413  1
  H  H14  1  0.745519  0.716778  0.295597  1
  H  H15  1  0.567061  0.746390  0.281413  1
  H  H16  1  0.572957  0.398251  0.288505  1
  H  H17  1  0.412186  0.383445  0.295597  1
  H  H18  1  0.233728  0.413057  0.281413  1
  H  H19  1  0.755537  0.024953  0.307648  1
  H  H20  1  0.594766  0.010147  0.314740  1
  H  H21  1  0.416308  0.039759  0.300556  1
  H  H22  1  0.422204  0.691620  0.307648  1
  H  H23  1  0.255537  0.024953  0.307648  1
  H  H24  1  0.261433  0.676814  0.314740  1
  H  H25  1  0.082975  0.706426  0.300556  1
  H  H26  1  0.094766  0.010147  0.314740  1
  H  H27  1  0.088871  0.358287  0.307648  1
  H  H28  1  0.916308  0.039759  0.300556  1
  H  H29  1  0.922204  0.691620  0.307648  1
  H  H30  1  0.928100  0.343480  0.314740  1
  H  H31  1  0.749642  0.373093  0.300556  1
  H  H32  1  0.761433  0.676814  0.314740  1
  H  H33  1  0.582975  0.706426  0.300556  1
  H  H34  1  0.588871  0.358287  0.307648  1
  H  H35  1  0.428100  0.343480  0.314740  1
  H  H36  1  0.249642  0.373093  0.300556  1
  H  H37  1  0.774366  0.977668  0.330298  1
  H  H38  1  0.613595  0.962862  0.337390  1
  H  H39  1  0.435137  0.992474  0.323206  1
  H  H40  1  0.441033  0.644335  0.330298  1
  H  H41  1  0.274366  0.977668  0.330298  1
  H  H42  1  0.280262  0.629529  0.337390  1
  H  H43  1  0.101804  0.659141  0.323206  1
  H  H44  1  0.113595  0.962862  0.337390  1
  H  H45  1  0.107699  0.311002  0.330298  1
  H  H46  1  0.935137  0.992474  0.323206  1
  H  H47  1  0.941033  0.644335  0.330298  1
  H  H48  1  0.946928  0.296196  0.337390  1
  H  H49  1  0.768470  0.325808  0.323206  1
  H  H50  1  0.780262  0.629529  0.337390  1
  H  H51  1  0.601804  0.659141  0.323206  1
  H  H52  1  0.607699  0.311002  0.330298  1
  H  H53  1  0.446928  0.296196  0.337390  1
  H  H54  1  0.268470  0.325808  0.323206  1
  H  H55  1  0.791632  0.934309  0.351067  1
  H  H56  1  0.630861  0.919503  0.358160  1
  H  H57  1  0.452403  0.949115  0.343975  1
  H  H58  1  0.458298  0.600976  0.351067  1
  H  H59  1  0.291632  0.934309  0.351067  1
  H  H60  1  0.297527  0.586170  0.358160  1
  H  H61  1  0.119069  0.615782  0.343975  1
  H  H62  1  0.130861  0.919503  0.358160  1
  H  H63  1  0.124965  0.267642  0.351067  1
  H  H64  1  0.952403  0.949115  0.343975  1
  H  H65  1  0.958298  0.600976  0.351067  1
  H  H66  1  0.964194  0.252836  0.358160  1
  H  H67  1  0.785736  0.282448  0.343975  1
  H  H68  1  0.797527  0.586170  0.358160  1
  H  H69  1  0.619069  0.615782  0.343975  1
  H  H70  1  0.624965  0.267642  0.351067  1
  H  H71  1  0.464194  0.252836  0.358160  1
  H  H72  1  0.285736  0.282448  0.343975  1
  H  H73  1  0.809541  0.889333  0.372611  1
  H  H74  1  0.648770  0.874527  0.379704  1
  H  H75  1  0.470312  0.904139  0.365519  1
  H  H76  1  0.476208  0.555999  0.372611  1
  H  H77  1  0.309541  0.889333  0.372611  1
  H  H78  1  0.315437  0.541193  0.379704  1
  H  H79  1  0.136979  0.570806  0.365519  1
  H  H80  1  0.148770  0.874527  0.379704  1
  H  H81  1  0.142874  0.222666  0.372611  1
  H  H82  1  0.970312  0.904139  0.365519  1
  H  H83  1  0.976208  0.555999  0.372611  1
  H  H84  1  0.982103  0.207860  0.379704  1
  H  H85  1  0.803645  0.237472  0.365519  1
  H  H86  1  0.815437  0.541193  0.379704  1
  H  H87  1  0.636979  0.570806  0.365519  1
  H  H88  1  0.642874  0.222666  0.372611  1
  H  H89  1  0.482103  0.207860  0.379704  1
  H  H90  1  0.303645  0.237472  0.365519  1
  H  H91  1  0.827140  0.845135  0.393782  1
  H  H92  1  0.666369  0.830329  0.400874  1
  H  H93  1  0.487911  0.859941  0.386690  1
  H  H94  1  0.493807  0.511802  0.393782  1
  H  H95  1  0.327140  0.845135  0.393782  1
  H  H96  1  0.333036  0.496996  0.400874  1
  H  H97  1  0.154578  0.526608  0.386690  1
  H  H98  1  0.166369  0.830329  0.400874  1
  H  H99  1  0.160474  0.178469  0.393782  1
  H  H100  1  0.987911  0.859941  0.386690  1
  H  H101  1  0.993807  0.511802  0.393782  1
  H  H102  1  0.999703  0.163663  0.400874  1
  H  H103  1  0.821245  0.193275  0.386690  1
  H  H104  1  0.833036  0.496996  0.400874  1
  H  H105  1  0.654578  0.526608  0.386690  1
  H  H106  1  0.660474  0.178469  0.393782  1
  H  H107  1  0.499703  0.163663  0.400874  1
  H  H108  1  0.321245  0.193275  0.386690  1
  H  H109  1  0.844880  0.800584  0.415123  1
  H  H110  1  0.684110  0.785778  0.422215  1
  H  H111  1  0.505651  0.815390  0.408030  1
  H  H112  1  0.511547  0.467251  0.415123  1
  H  H113  1  0.344880  0.800584  0.415123  1
  H  H114  1  0.350776  0.452445  0.422215  1
  H  H115  1  0.172318  0.482057  0.408030  1
  H  H116  1  0.184110  0.785778  0.422215  1
  H  H117  1  0.178214  0.133917  0.415123  1
  H  H118  1  0.005651  0.815390  0.408030  1
  H  H119  1  0.011547  0.467251  0.415123  1
  H  H120  1  0.017443  0.119111  0.422215  1
  H  H121  1  0.838985  0.148724  0.408030  1
  H  H122  1  0.850776  0.452445  0.422215  1
  H  H123  1  0.672318  0.482057  0.408030  1
  H  H124  1  0.678214  0.133917  0.415123  1
  H  H125  1  0.517443  0.119111  0.422215  1
  H  H126  1  0.338985  0.148724  0.408030  1
  H  H127  1  0.862555  0.756198  0.436384  1
  H  H128  1  0.701784  0.741392  0.443476  1
  H  H129  1  0.523326  0.771004  0.429291  1
  H  H130  1  0.529221  0.422865  0.436384  1
  H  H131  1  0.362555  0.756198  0.436384  1
  H  H132  1  0.368451  0.408059  0.443476  1
  H  H133  1  0.189992  0.437671  0.429291  1
  H  H134  1  0.201784  0.741392  0.443476  1
  H  H135  1  0.195888  0.089532  0.436384  1
  H  H136  1  0.023326  0.771004  0.429291  1
  H  H137  1  0.029221  0.422865  0.436384  1
  H  H138  1  0.035117  0.074726  0.443476  1
  H  H139  1  0.856659  0.104338  0.429291  1
  H  H140  1  0.868451  0.408059  0.443476  1
  H  H141  1  0.689992  0.437671  0.429291  1
  H  H142  1  0.695888  0.089532  0.436384  1
  H  H143  1  0.535117  0.074726  0.443476  1
  H  H144  1  0.356659  0.104338  0.429291  1
  H  H145  1  0.880259  0.711737  0.457681  1
  H  H146  1  0.719488  0.696931  0.464773  1
  H  H147  1  0.541030  0.726543  0.450589  1
  H  H148  1  0.546926  0.378403  0.457681  1
  H  H149  1  0.380259  0.711737  0.457681  1
  H  H150  1  0.386155  0.363597  0.464773  1
  H  H151  1  0.207697  0.393209  0.450589  1
  H  H152  1  0.219488  0.696931  0.464773  1
  H  H153  1  0.213593  0.045070  0.457681  1
  H  H154  1  0.041030  0.726543  0.450589  1
  H  H155  1  0.046926  0.378403  0.457681  1
  H  H156  1  0.052822  0.030264  0.464773  1
  H  H157  1  0.874364  0.059876  0.450589  1
  H  H158  1  0.886155  0.363597  0.464773  1
  H  H159  1  0.707697  0.393209  0.450589  1
  H  H160  1  0.713593  0.045070  0.457681  1
  H  H161  1  0.552822  0.030264  0.464773  1
  H  H162  1  0.374364  0.059876  0.450589  1
  H  H163  1  0.897950  0.667309  0.478962  1
  H  H164  1  0.737179  0.652503  0.486054  1
  H  H165  1  0.558721  0.682115  0.471870  1
  H  H166  1  0.564617  0.333976  0.478962  1
  H  H167  1  0.397950  0.667309  0.478962  1
  H  H168  1  0.403846  0.319170  0.486054  1
  H  H169  1  0.225388  0.348782  0.471870  1
  H  H170  1  0.237179  0.652503  0.486054  1
  H  H171  1  0.231284  0.000642  0.478962  1
  H  H172  1  0.058721  0.682115  0.471870  1
  H  H173  1  0.064617  0.333976  0.478962  1
  H  H174  1  0.070513  0.985836  0.486054  1
  H  H175  1  0.892055  0.015448  0.471870  1
  H  H176  1  0.903846  0.319170  0.486054  1
  H  H177  1  0.725388  0.348782  0.471870  1
  H  H178  1  0.731284  0.000642  0.478962  1
  H  H179  1  0.570513  0.985836  0.486054  1
  H  H180  1  0.392055  0.015448  0.471870  1
  H  H181  1  0.915646  0.622868  0.500250  1
  H  H182  1  0.754875  0.608062  0.507342  1
  H  H183  1  0.576417  0.637674  0.493157  1
  H  H184  1  0.582313  0.289535  0.500250  1
  H  H185  1  0.415646  0.622868  0.500250  1
  H  H186  1  0.421542  0.274729  0.507342  1
  H  H187  1  0.243084  0.304341  0.493157  1
  H  H188  1  0.254875  0.608062  0.507342  1
  H  H189  1  0.248980  0.956202  0.500250  1
  H  H190  1  0.076417  0.637674  0.493157  1
  H  H191  1  0.082313  0.289535  0.500250  1
  H  H192  1  0.088209  0.941396  0.507342  1
  H  H193  1  0.909751  0.971008  0.493157  1
  H  H194  1  0.921542  0.274729  0.507342  1
  H  H195  1  0.743084  0.304341  0.493157  1
  H  H196  1  0.748980  0.956202  0.500250  1
  H  H197  1  0.588209  0.941396  0.507342  1
  H  H198  1  0.409751  0.971008  0.493157  1
  H  H199  1  0.933343  0.578428  0.521537  1
  H  H200  1  0.772572  0.563622  0.528629  1
  H  H201  1  0.594113  0.593234  0.514445  1
  H  H202  1  0.600009  0.245094  0.521537  1
  H  H203  1  0.433343  0.578428  0.521537  1
  H  H204  1  0.439238  0.230288  0.528629  1
  H  H205  1  0.260780  0.259900  0.514445  1
  H  H206  1  0.272572  0.563622  0.528629  1
  H  H207  1  0.266676  0.911761  0.521537  1
  H  H208  1  0.094113  0.593234  0.514445  1
  H  H209  1  0.100009  0.245094  0.521537  1
  H  H210  1  0.105905  0.896955  0.528629  1
  H  H211  1  0.927447  0.926567  0.514445  1
  H  H212  1  0.939238  0.230288  0.528629  1
  H  H213  1  0.760780  0.259900  0.514445  1
  H  H214  1  0.766676  0.911761  0.521537  1
  H  H215  1  0.605905  0.896955  0.528629  1
  H  H216  1  0.427447  0.926567  0.514445  1
  H  H217  1  0.951034  0.534000  0.542818  1
  H  H218  1  0.790263  0.519194  0.549910  1
  H  H219  1  0.611804  0.548806  0.535726  1
  H  H220  1  0.617700  0.200667  0.542818  1
  H  H221  1  0.451034  0.534000  0.542818  1
  H  H222  1  0.456929  0.185861  0.549910  1
  H  H223  1  0.278471  0.215473  0.535726  1
  H  H224  1  0.290263  0.519194  0.549910  1
  H  H225  1  0.284367  0.867333  0.542818  1
  H  H226  1  0.111804  0.548806  0.535726  1
  H  H227  1  0.117700  0.200667  0.542818  1
  H  H228  1  0.123596  0.852527  0.549910  1
  H  H229  1  0.945138  0.882139  0.535726  1
  H  H230  1  0.956929  0.185861  0.549910  1
  H  H231  1  0.778471  0.215473  0.535726  1
  H  H232  1  0.784367  0.867333  0.542818  1
  H  H233  1  0.623596  0.852527  0.549910  1
  H  H234  1  0.445138  0.882139  0.535726  1
  H  H235  1  0.968738  0.489538  0.564116  1
  H  H236  1  0.807967  0.474732  0.571208  1
  H  H237  1  0.629509  0.504344  0.557023  1
  H  H238  1  0.635405  0.156205  0.564116  1
  H  H239  1  0.468738  0.489538  0.564116  1
  H  H240  1  0.474634  0.141399  0.571208  1
  H  H241  1  0.296176  0.171011  0.557023  1
  H  H242  1  0.307967  0.474732  0.571208  1
  H  H243  1  0.302071  0.822872  0.564116  1
  H  H244  1  0.129509  0.504344  0.557023  1
  H  H245  1  0.135405  0.156205  0.564116  1
  H  H246  1  0.141300  0.808066  0.571208  1
  H  H247  1  0.962842  0.837678  0.557023  1
  H  H248  1  0.974634  0.141399  0.571208  1
  H  H249  1  0.796176  0.171011  0.557023  1
  H  H250  1  0.802071  0.822872  0.564116  1
  H  H251  1  0.641300  0.808066  0.571208  1
  H  H252  1  0.462842  0.837678  0.557023  1
  H  H253  1  0.986412  0.445152  0.585377  1
  H  H254  1  0.825641  0.430346  0.592469  1
  H  H255  1  0.647183  0.459958  0.578284  1
  H  H256  1  0.653079  0.111819  0.585377  1
  H  H257  1  0.486412  0.445152  0.585377  1
  H  H258  1  0.492308  0.097013  0.592469  1
  H  H259  1  0.313850  0.126625  0.578284  1
  H  H260  1  0.325641  0.430346  0.592469  1
  H  H261  1  0.319746  0.778486  0.585377  1
  H  H262  1  0.147183  0.459958  0.578284  1
  H  H263  1  0.153079  0.111819  0.585377  1
  H  H264  1  0.158975  0.763680  0.592469  1
  H  H265  1  0.980517  0.793292  0.578284  1
  H  H266  1  0.992308  0.097013  0.592469  1
  H  H267  1  0.813850  0.126625  0.578284  1
  H  H268  1  0.819746  0.778486  0.585377  1
  H  H269  1  0.658975  0.763680  0.592469  1
  H  H270  1  0.480517  0.793292  0.578284  1
  H  H271  1  0.004153  0.400601  0.606717  1
  H  H272  1  0.843382  0.385795  0.613809  1
  H  H273  1  0.664923  0.415407  0.599625  1
  H  H274  1  0.670819  0.067268  0.606717  1
  H  H275  1  0.504153  0.400601  0.606717  1
  H  H276  1  0.510048  0.052462  0.613809  1
  H  H277  1  0.331590  0.082074  0.599625  1
  H  H278  1  0.343382  0.385795  0.613809  1
  H  H279  1  0.337486  0.733935  0.606717  1
  H  H280  1  0.164923  0.415407  0.599625  1
  H  H281  1  0.170819  0.067268  0.606717  1
  H  H282  1  0.176715  0.719128  0.613809  1
  H  H283  1  0.998257  0.748741  0.599625  1
  H  H284  1  0.010048  0.052462  0.613809  1
  H  H285  1  0.831590  0.082074  0.599625  1
  H  H286  1  0.837486  0.733935  0.606717  1
  H  H287  1  0.676715  0.719128  0.613809  1
  H  H288  1  0.498257  0.748741  0.599625  1
  H  H289  1  0.021752  0.356404  0.627888  1
  H  H290  1  0.860981  0.341598  0.634980  1
  H  H291  1  0.682523  0.371210  0.620796  1
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  H  H293  1  0.521752  0.356404  0.627888  1
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  H  H301  1  0.015856  0.704543  0.620796  1
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  H  H307  1  0.039661  0.311427  0.649432  1
  H  H308  1  0.878890  0.296621  0.656524  1
  H  H309  1  0.700432  0.326234  0.642340  1
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  H  H311  1  0.539661  0.311427  0.649432  1
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  H  H318  1  0.212224  0.629955  0.656524  1
  H  H319  1  0.033766  0.659567  0.642340  1
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  H  H321  1  0.867099  0.992900  0.642340  1
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  H  H325  1  0.056927  0.268068  0.670201  1
  H  H326  1  0.896156  0.253262  0.677293  1
  H  H327  1  0.717698  0.282874  0.663109  1
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  H  H337  1  0.051031  0.616208  0.663109  1
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  H  H339  1  0.884364  0.949541  0.663109  1
  H  H340  1  0.890260  0.601401  0.670201  1
  H  H341  1  0.729489  0.586595  0.677293  1
  H  H342  1  0.551031  0.616208  0.663109  1
  H  H343  1  0.075755  0.220783  0.692851  1
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  H  H349  1  0.403193  0.902256  0.685759  1
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  H  H361  1  0.091669  0.180819  0.711994  1
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  H  H377  1  0.764232  0.499346  0.719086  1
  H  H378  1  0.585773  0.528959  0.704902  1
