# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96490087
_cell_length_b   6.08012803
_cell_length_c   47.38465270
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2294.725814
_cell_formula_units_Z   54
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  0.486744  0.987400  0.299139  1
  H  H2  1  0.449673  0.602789  0.316208  1
  H  H3  1  0.418625  0.247354  0.332884  1
  H  H4  1  0.937085  0.095124  0.327824  1
  H  H5  1  0.991959  0.810045  0.294642  1
  H  H6  1  0.957639  0.440272  0.308617  1
  H  H7  1  0.204460  0.022833  0.314287  1
  H  H8  1  0.271539  0.742568  0.282674  1
  H  H9  1  0.237551  0.369285  0.297068  1
  H  H10  1  0.775728  0.083894  0.288563  1
  H  H11  1  0.716861  0.708151  0.303559  1
  H  H12  1  0.682665  0.345202  0.319911  1
  H  H13  1  0.394650  0.888464  0.347354  1
  H  H14  1  0.365976  0.535534  0.363814  1
  H  H15  1  0.339710  0.178710  0.379587  1
  H  H16  1  0.853503  0.029089  0.374216  1
  H  H17  1  0.906139  0.737977  0.341817  1
  H  H18  1  0.878055  0.386312  0.357530  1
  H  H19  1  0.124464  0.957111  0.361215  1
  H  H20  1  0.174730  0.663251  0.329542  1
  H  H21  1  0.148600  0.314514  0.345520  1
  H  H22  1  0.668034  0.984694  0.336748  1
  H  H23  1  0.638891  0.626355  0.352355  1
  H  H24  1  0.612830  0.266443  0.368126  1
  H  H25  1  0.313023  0.825180  0.395357  1
  H  H26  1  0.286008  0.472145  0.411272  1
  H  H27  1  0.259704  0.119900  0.427220  1
  H  H28  1  0.772889  0.957160  0.421523  1
  H  H29  1  0.826391  0.673457  0.389723  1
  H  H30  1  0.800243  0.316543  0.405578  1
  H  H31  1  0.044444  0.898948  0.408394  1
  H  H32  1  0.095235  0.605294  0.376809  1
  H  H33  1  0.070040  0.252241  0.392381  1
  H  H34  1  0.584887  0.906424  0.383705  1
  H  H35  1  0.559319  0.545123  0.399450  1
  H  H36  1  0.533481  0.183003  0.415109  1
  H  H37  1  0.232975  0.767867  0.443230  1
  H  H38  1  0.206303  0.416138  0.459238  1
  H  H39  1  0.179634  0.064412  0.475234  1
  H  H40  1  0.690608  0.870114  0.469087  1
  H  H41  1  0.745910  0.596800  0.437336  1
  H  H42  1  0.718726  0.234498  0.453183  1
  H  H43  1  0.964100  0.839468  0.455850  1
  H  H44  1  0.017901  0.545826  0.424131  1
  H  H45  1  0.991330  0.192549  0.439918  1
  H  H46  1  0.506535  0.819469  0.430790  1
  H  H47  1  0.479996  0.454928  0.446492  1
  H  H48  1  0.453514  0.089575  0.462238  1
  H  H49  1  0.152298  0.712512  0.491225  1
  H  H50  1  0.124683  0.360414  0.507183  1
  H  H51  1  0.097259  0.008027  0.523079  1
  H  H52  1  0.607665  0.771435  0.516717  1
  H  H53  1  0.662629  0.504420  0.484966  1
  H  H54  1  0.635074  0.138122  0.500847  1
  H  H55  1  0.881784  0.782173  0.503570  1
  H  H56  1  0.936824  0.486658  0.471716  1
  H  H57  1  0.909399  0.134271  0.487612  1
  H  H58  1  0.426418  0.723250  0.478078  1
  H  H59  1  0.399009  0.356562  0.493948  1
  H  H60  1  0.371454  0.990265  0.509829  1
  H  H61  1  0.069983  0.655217  0.538945  1
  H  H62  1  0.042753  0.302136  0.554877  1
  H  H63  1  1.016182  0.948859  0.570664  1
  H  H64  1  0.527547  0.675216  0.564005  1
  H  H65  1  0.580568  0.405109  0.532557  1
  H  H66  1  0.554087  0.039757  0.548303  1
  H  H67  1  0.801108  0.726817  0.551564  1
  H  H68  1  0.854449  0.430273  0.519561  1
  H  H69  1  0.827780  0.078547  0.535557  1
  H  H70  1  0.343475  0.624571  0.525708  1
  H  H71  1  0.315357  0.260186  0.541612  1
  H  H72  1  0.288173  0.897884  0.557459  1
  H  H73  1  0.989638  0.595736  0.586401  1
  H  H74  1  0.964043  0.242443  0.602414  1
  H  H75  1  0.938848  0.889391  0.617986  1
  H  H76  1  0.449196  0.588261  0.611090  1
  H  H77  1  0.500602  0.311681  0.579686  1
  H  H78  1  0.474764  0.949561  0.595345  1
  H  H79  1  0.721060  0.669504  0.599437  1
  H  H80  1  0.774379  0.374785  0.567575  1
  H  H81  1  0.748075  0.022539  0.583523  1
  H  H82  1  0.261194  0.537525  0.573271  1
  H  H83  1  0.233840  0.178142  0.589217  1
  H  H84  1  0.207692  0.821228  0.605072  1
  H  H85  1  0.909619  0.537574  0.633580  1
  H  H86  1  0.885483  0.180170  0.649275  1
  H  H87  1  0.859353  0.831434  0.665253  1
  H  H88  1  0.366049  0.509990  0.658047  1
  H  H89  1  0.421253  0.228242  0.626669  1
  H  H90  1  0.395192  0.868330  0.642439  1
  H  H91  1  0.639433  0.606220  0.647441  1
  H  H92  1  0.694372  0.315974  0.615208  1
  H  H93  1  0.668107  0.959150  0.630981  1
  H  H94  1  0.180580  0.465595  0.620579  1
  H  H95  1  0.156027  0.108373  0.637265  1
  H  H96  1  0.127943  0.756708  0.652978  1
  H  H97  1  0.829623  0.471851  0.680508  1
  H  H98  1  0.796532  0.125400  0.697726  1
  H  H99  1  0.762544  0.752116  0.712121  1
  H  H100  1  0.258354  0.410790  0.706232  1
  H  H101  1  0.351418  0.149483  0.674884  1
  H  H102  1  0.317222  0.786533  0.691236  1
  H  H103  1  0.547339  0.507284  0.695656  1
  H  H104  1  0.615458  0.247331  0.661911  1
  H  H105  1  0.584410  0.891895  0.678587  1
  H  H106  1  0.096998  0.399561  0.666971  1
  H  H107  1  0.076444  0.054413  0.686178  1
  H  H108  1  0.042124  0.684639  0.700152  1
