# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75576838
_cell_length_b   14.53832122
_cell_length_c   46.35647000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.57526480
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H132
_cell_volume   4428.6101671
_cell_formula_units_Z   66
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  0.678918  0.474689  0.295860  1
  H  H2  1  0.515417  0.801692  0.309749  1
  H  H3  1  0.842420  0.147686  0.281971  1
  H  H4  1  0.427335  0.311187  0.288915  1
  H  H5  1  0.263834  0.638190  0.302804  1
  H  H6  1  0.590837  0.984184  0.275026  1
  H  H7  1  0.453236  0.259386  0.286715  1
  H  H8  1  0.289735  0.586389  0.300604  1
  H  H9  1  0.616738  0.932383  0.272826  1
  H  H10  1  0.704819  0.422888  0.293660  1
  H  H11  1  0.541318  0.749890  0.307548  1
  H  H12  1  0.868321  0.095885  0.279771  1
  H  H13  1  0.188414  0.455698  0.337527  1
  H  H14  1  0.024912  0.782701  0.351415  1
  H  H15  1  0.351915  0.128695  0.323638  1
  H  H16  1  0.936831  0.292196  0.330582  1
  H  H17  1  0.773330  0.619199  0.344471  1
  H  H18  1  0.100333  0.965193  0.316693  1
  H  H19  1  0.962732  0.240395  0.328382  1
  H  H20  1  0.799231  0.567398  0.342271  1
  H  H21  1  0.126233  0.913392  0.314493  1
  H  H22  1  0.214315  0.403897  0.335326  1
  H  H23  1  0.050813  0.730900  0.349215  1
  H  H24  1  0.377816  0.076893  0.321437  1
  H  H25  1  0.697909  0.436707  0.379193  1
  H  H26  1  0.534408  0.763710  0.393082  1
  H  H27  1  0.861411  0.109704  0.365304  1
  H  H28  1  0.446327  0.273205  0.372249  1
  H  H29  1  0.282825  0.600208  0.386138  1
  H  H30  1  0.609828  0.946202  0.358360  1
  H  H31  1  0.472228  0.221404  0.370049  1
  H  H32  1  0.308726  0.548407  0.383937  1
  H  H33  1  0.635729  0.894401  0.356160  1
  H  H34  1  0.723810  0.384906  0.376993  1
  H  H35  1  0.560309  0.711909  0.390882  1
  H  H36  1  0.887312  0.057903  0.363104  1
  H  H37  1  0.207405  0.417716  0.420860  1
  H  H38  1  0.043903  0.744719  0.434749  1
  H  H39  1  0.370906  0.090713  0.406971  1
  H  H40  1  0.955822  0.254215  0.413915  1
  H  H41  1  0.792321  0.581218  0.427804  1
  H  H42  1  0.119324  0.927211  0.400027  1
  H  H43  1  0.981723  0.202413  0.411715  1
  H  H44  1  0.818222  0.529416  0.425604  1
  H  H45  1  0.145225  0.875410  0.397826  1
  H  H46  1  0.233306  0.365915  0.418660  1
  H  H47  1  0.069804  0.692918  0.432549  1
  H  H48  1  0.396807  0.038912  0.404771  1
  H  H49  1  0.716900  0.398725  0.462527  1
  H  H50  1  0.553399  0.725728  0.476415  1
  H  H51  1  0.880402  0.071722  0.448638  1
  H  H52  1  0.465318  0.235224  0.455582  1
  H  H53  1  0.301816  0.562227  0.469471  1
  H  H54  1  0.628819  0.908221  0.441693  1
  H  H55  1  0.491219  0.183422  0.453382  1
  H  H56  1  0.327717  0.510425  0.467271  1
  H  H57  1  0.654720  0.856419  0.439493  1
  H  H58  1  0.742801  0.346924  0.460326  1
  H  H59  1  0.579300  0.673927  0.474215  1
  H  H60  1  0.906303  0.019921  0.446437  1
  H  H61  1  0.226396  0.379734  0.504193  1
  H  H62  1  0.062894  0.706737  0.518082  1
  H  H63  1  0.389897  0.052731  0.490304  1
  H  H64  1  0.974813  0.216233  0.497249  1
  H  H65  1  0.811312  0.543236  0.511138  1
  H  H66  1  0.138315  0.889230  0.483360  1
  H  H67  1  0.000714  0.164431  0.495049  1
  H  H68  1  0.837213  0.491434  0.508937  1
  H  H69  1  0.164216  0.837428  0.481160  1
  H  H70  1  0.252297  0.327933  0.501993  1
  H  H71  1  0.088795  0.654936  0.515882  1
  H  H72  1  0.415798  0.000930  0.488104  1
  H  H73  1  0.735891  0.360743  0.545860  1
  H  H74  1  0.572389  0.687746  0.559749  1
  H  H75  1  0.899392  0.033740  0.531971  1
  H  H76  1  0.484308  0.197242  0.538915  1
  H  H77  1  0.320807  0.524245  0.552804  1
  H  H78  1  0.647810  0.870239  0.525027  1
  H  H79  1  0.510209  0.145440  0.536715  1
  H  H80  1  0.346708  0.472443  0.550604  1
  H  H81  1  0.673711  0.818437  0.522826  1
  H  H82  1  0.761792  0.308942  0.543660  1
  H  H83  1  0.598290  0.635945  0.557549  1
  H  H84  1  0.925293  0.981939  0.529771  1
  H  H85  1  0.245386  0.341752  0.587527  1
  H  H86  1  0.081885  0.668755  0.601415  1
  H  H87  1  0.408888  0.014749  0.573638  1
  H  H88  1  0.993804  0.178251  0.580582  1
  H  H89  1  0.830302  0.505254  0.594471  1
  H  H90  1  0.157305  0.851248  0.566693  1
  H  H91  1  0.019705  0.126449  0.578382  1
  H  H92  1  0.856203  0.453452  0.592271  1
  H  H93  1  0.183206  0.799446  0.564493  1
  H  H94  1  0.271287  0.289951  0.585326  1
  H  H95  1  0.107786  0.616954  0.599215  1
  H  H96  1  0.434789  0.962948  0.571437  1
  H  H97  1  0.754882  0.322761  0.629193  1
  H  H98  1  0.591380  0.649764  0.643082  1
  H  H99  1  0.918383  0.995758  0.615304  1
  H  H100  1  0.503299  0.159260  0.622249  1
  H  H101  1  0.339798  0.486263  0.636138  1
  H  H102  1  0.666801  0.832257  0.608360  1
  H  H103  1  0.529200  0.107458  0.620049  1
  H  H104  1  0.365699  0.434461  0.633937  1
  H  H105  1  0.692702  0.780455  0.606160  1
  H  H106  1  0.780783  0.270960  0.626993  1
  H  H107  1  0.617281  0.597963  0.640882  1
  H  H108  1  0.944284  0.943957  0.613104  1
  H  H109  1  0.264377  0.303770  0.670860  1
  H  H110  1  0.100876  0.630773  0.684749  1
  H  H111  1  0.427879  0.976767  0.656971  1
  H  H112  1  0.012795  0.140269  0.663915  1
  H  H113  1  0.849293  0.467272  0.677804  1
  H  H114  1  0.176296  0.813266  0.650027  1
  H  H115  1  0.038696  0.088467  0.661715  1
  H  H116  1  0.875194  0.415470  0.675604  1
  H  H117  1  0.202197  0.761464  0.647826  1
  H  H118  1  0.290278  0.251969  0.668660  1
  H  H119  1  0.126777  0.578972  0.682549  1
  H  H120  1  0.453780  0.924966  0.654771  1
  H  H121  1  0.773873  0.284779  0.712527  1
  H  H122  1  0.610371  0.611782  0.726415  1
  H  H123  1  0.937375  0.957776  0.698638  1
  H  H124  1  0.522290  0.121278  0.705582  1
  H  H125  1  0.358789  0.448281  0.719471  1
  H  H126  1  0.685792  0.794275  0.691693  1
  H  H127  1  0.548191  0.069476  0.703382  1
  H  H128  1  0.384690  0.396479  0.717271  1
  H  H129  1  0.711693  0.742474  0.689493  1
  H  H130  1  0.799774  0.232978  0.710326  1
  H  H131  1  0.636273  0.559981  0.724215  1
  H  H132  1  0.963276  0.905975  0.696437  1
