# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26723338
_cell_length_b   4.46928689
_cell_length_c   47.58391184
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.15420789
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H84
_cell_volume   1643.07427655
_cell_formula_units_Z   42
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  0.733197  0.844127  0.291594  1
  H  H2  1  0.164695  0.997539  0.269659  1
  H  H3  1  0.451431  0.902578  0.281297  1
  H  H4  1  0.652539  0.381218  0.284020  1
  H  H5  1  0.935628  0.328176  0.295837  1
  H  H6  1  0.354494  0.451983  0.273247  1
  H  H7  1  0.567924  0.681425  0.325218  1
  H  H8  1  0.015265  0.782694  0.301752  1
  H  H9  1  0.289088  0.738484  0.314714  1
  H  H10  1  0.496736  0.219786  0.317897  1
  H  H11  1  0.776539  0.162105  0.328712  1
  H  H12  1  0.217226  0.273704  0.307979  1
  H  H13  1  0.401696  0.517904  0.357971  1
  H  H14  1  0.846080  0.627979  0.336048  1
  H  H15  1  0.122429  0.574738  0.347123  1
  H  H16  1  0.334394  0.054248  0.350968  1
  H  H17  1  0.613029  0.999385  0.361600  1
  H  H18  1  0.054341  0.107286  0.339724  1
  H  H19  1  0.236504  0.354677  0.390709  1
  H  H20  1  0.680252  0.463265  0.368754  1
  H  H21  1  0.958345  0.408614  0.379690  1
  H  H22  1  0.169803  0.890512  0.383581  1
  H  H23  1  0.448609  0.834987  0.394538  1
  H  H24  1  0.891011  0.945161  0.372672  1
  H  H25  1  0.071940  0.190195  0.423476  1
  H  H26  1  0.515260  0.299152  0.401585  1
  H  H27  1  0.793543  0.244995  0.412546  1
  H  H28  1  0.005249  0.725881  0.416388  1
  H  H29  1  0.283785  0.671159  0.427334  1
  H  H30  1  0.726894  0.780423  0.405430  1
  H  H31  1  0.907388  0.025983  0.456291  1
  H  H32  1  0.350460  0.135431  0.434410  1
  H  H33  1  0.628953  0.080595  0.445347  1
  H  H34  1  0.840672  0.561703  0.449217  1
  H  H35  1  0.119139  0.506945  0.460150  1
  H  H36  1  0.562242  0.616278  0.438280  1
  H  H37  1  0.742757  0.861804  0.489109  1
  H  H38  1  0.185842  0.971264  0.467227  1
  H  H39  1  0.464304  0.916524  0.478165  1
  H  H40  1  0.676057  0.397449  0.482035  1
  H  H41  1  0.954512  0.342756  0.492973  1
  H  H42  1  0.397600  0.452177  0.471093  1
  H  H43  1  0.578128  0.697651  0.521924  1
  H  H44  1  0.021216  0.807073  0.500045  1
  H  H45  1  0.299671  0.752380  0.510983  1
  H  H46  1  0.511423  0.233305  0.514852  1
  H  H47  1  0.789886  0.178564  0.525791  1
  H  H48  1  0.232971  0.288024  0.503908  1
  H  H49  1  0.413485  0.533551  0.554737  1
  H  H50  1  0.856589  0.642883  0.532868  1
  H  H51  1  0.135056  0.588125  0.543800  1
  H  H52  1  0.346775  0.069234  0.547671  1
  H  H53  1  0.625268  0.014398  0.558608  1
  H  H54  1  0.068340  0.123846  0.536726  1
  H  H55  1  0.248834  0.369405  0.587587  1
  H  H56  1  0.691943  0.478670  0.565684  1
  H  H57  1  0.970479  0.423947  0.576630  1
  H  H58  1  0.182184  0.904833  0.580471  1
  H  H59  1  0.460468  0.850676  0.591432  1
  H  H60  1  0.903788  0.959634  0.569541  1
  H  H61  1  0.084717  0.204667  0.620346  1
  H  H62  1  0.527119  0.314841  0.598480  1
  H  H63  1  0.805925  0.259316  0.609437  1
  H  H64  1  0.017382  0.741215  0.613327  1
  H  H65  1  0.295476  0.686564  0.624264  1
  H  H66  1  0.739224  0.795151  0.602308  1
  H  H67  1  0.921387  0.042542  0.653293  1
  H  H68  1  0.362699  0.150443  0.631418  1
  H  H69  1  0.641334  0.095580  0.642050  1
  H  H70  1  0.853299  0.575090  0.645894  1
  H  H71  1  0.129648  0.521850  0.656970  1
  H  H72  1  0.574032  0.631924  0.635047  1
  H  H73  1  0.758502  0.876125  0.685038  1
  H  H74  1  0.199189  0.987724  0.664306  1
  H  H75  1  0.478992  0.930043  0.675121  1
  H  H76  1  0.686640  0.411344  0.678304  1
  H  H77  1  0.960463  0.367135  0.691266  1
  H  H78  1  0.407804  0.468403  0.667799  1
  H  H79  1  0.621234  0.697846  0.719770  1
  H  H80  1  0.040100  0.821653  0.697180  1
  H  H81  1  0.323189  0.768610  0.708998  1
  H  H82  1  0.524297  0.247251  0.711720  1
  H  H83  1  0.811033  0.152289  0.723359  1
  H  H84  1  0.242531  0.305702  0.701423  1
