# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.60247866
_cell_length_b   7.24852605
_cell_length_c   47.82840850
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H80
_cell_volume   1513.73088722
_cell_formula_units_Z   40
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  0.388929  0.277083  0.293201  1
  H  H2  1  0.178609  0.855844  0.271296  1
  H  H3  1  0.287353  0.568687  0.282596  1
  H  H4  1  0.505494  1.000838  0.305949  1
  H  H5  1  0.782233  0.568828  0.282580  1
  H  H6  1  0.995867  1.000804  0.305945  1
  H  H7  1  0.891198  0.281653  0.293361  1
  H  H8  1  0.112423  0.724512  0.318009  1
  H  H9  1  0.835130  0.170105  0.340001  1
  H  H10  1  0.612808  0.725280  0.317476  1
  H  H11  1  0.722248  0.445896  0.328365  1
  H  H12  1  0.945257  0.891503  0.351567  1
  H  H13  1  0.223849  0.445868  0.328373  1
  H  H14  1  0.446354  0.891503  0.351566  1
  H  H15  1  0.334367  0.168586  0.339777  1
  H  H16  1  0.556544  0.612983  0.362482  1
  H  H17  1  0.279096  0.058143  0.385315  1
  H  H18  1  0.056139  0.612176  0.362744  1
  H  H19  1  0.168218  0.335550  0.373860  1
  H  H20  1  0.389981  0.779810  0.396695  1
  H  H21  1  0.667424  0.335554  0.373857  1
  H  H22  1  0.889859  0.779811  0.396696  1
  H  H23  1  0.779158  0.058274  0.385365  1
  H  H24  1  0.000919  0.501828  0.408041  1
  H  H25  1  0.723236  0.946538  0.430742  1
  H  H26  1  0.501044  0.502070  0.407985  1
  H  H27  1  0.612125  0.224394  0.419369  1
  H  H28  1  0.834274  0.668645  0.442098  1
  H  H29  1  0.112242  0.224394  0.419369  1
  H  H30  1  0.334283  0.668645  0.442097  1
  H  H31  1  0.223236  0.946533  0.430730  1
  H  H32  1  0.445381  0.390881  0.453442  1
  H  H33  1  0.167537  0.835259  0.476158  1
  H  H34  1  0.945356  0.390832  0.453456  1
  H  H35  1  0.056469  0.113072  0.464800  1
  H  H36  1  0.278611  0.557437  0.487518  1
  H  H37  1  0.556450  0.113072  0.464800  1
  H  H38  1  0.778611  0.557437  0.487518  1
  H  H39  1  0.667536  0.835257  0.476160  1
  H  H40  1  0.889688  0.279623  0.498875  1
  H  H41  1  0.611850  0.724008  0.521582  1
  H  H42  1  0.389698  0.279643  0.498868  1
  H  H43  1  0.500776  1.001829  0.510224  1
  H  H44  1  0.722937  0.446193  0.532943  1
  H  H45  1  1.000775  1.001829  0.510224  1
  H  H46  1  0.222918  0.446193  0.532943  1
  H  H47  1  0.111849  0.724007  0.521584  1
  H  H48  1  0.334031  0.168433  0.544287  1
  H  H49  1  0.056150  0.612732  0.567012  1
  H  H50  1  0.834006  0.168384  0.544301  1
  H  H51  1  0.945103  0.890621  0.555645  1
  H  H52  1  0.167144  0.334872  0.578374  1
  H  H53  1  0.445113  0.890620  0.555645  1
  H  H54  1  0.667262  0.334872  0.578374  1
  H  H55  1  0.556150  0.612728  0.567001  1
  H  H56  1  0.778342  0.057195  0.589758  1
  H  H57  1  0.500228  0.500992  0.612377  1
  H  H58  1  0.278467  0.057437  0.589702  1
  H  H59  1  0.389528  0.779455  0.601046  1
  H  H60  1  0.611963  0.223711  0.623885  1
  H  H61  1  0.889405  0.779456  0.601047  1
  H  H62  1  0.111169  0.223716  0.623883  1
  H  H63  1  1.000290  0.501123  0.612428  1
  H  H64  1  0.223247  0.947089  0.634999  1
  H  H65  1  0.945020  0.390679  0.657965  1
  H  H66  1  0.722843  0.946283  0.635260  1
  H  H67  1  0.833033  0.667763  0.646176  1
  H  H68  1  0.055538  0.113397  0.669369  1
  H  H69  1  0.334130  0.667762  0.646175  1
  H  H70  1  0.557139  0.113370  0.669377  1
  H  H71  1  0.444256  0.389160  0.657741  1
  H  H72  1  0.666578  0.833986  0.680266  1
  H  H73  1  0.388188  0.277613  0.704381  1
  H  H74  1  0.166963  0.834754  0.679734  1
  H  H75  1  0.283519  0.558462  0.691797  1
  H  H76  1  0.497154  0.990438  0.715163  1
  H  H77  1  0.773893  0.558428  0.691794  1
  H  H78  1  0.992034  0.990579  0.715147  1
  H  H79  1  0.890457  0.282183  0.704541  1
  H  H80  1  0.100778  0.703422  0.726447  1
