# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57680765
_cell_length_b   5.86422143
_cell_length_c   64.03352359
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.46487124
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H84
_cell_volume   1699.58856763
_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  0.324344  0.833596  0.143594  1
  H  H2  1  0.824344  0.833596  0.143594  1
  H  H3  1  0.156575  0.527643  0.160273  1
  H  H4  1  0.656575  0.527643  0.160273  1
  H  H5  1  0.987065  0.185092  0.151557  1
  H  H6  1  0.487065  0.185092  0.151557  1
  H  H7  1  1.057042  0.888651  0.175736  1
  H  H8  1  0.557042  0.888651  0.175736  1
  H  H9  1  0.892972  0.579460  0.192059  1
  H  H10  1  0.392972  0.579460  0.192059  1
  H  H11  1  0.724792  0.232977  0.183846  1
  H  H12  1  0.224792  0.232977  0.183846  1
  H  H13  1  0.791678  0.939406  0.207373  1
  H  H14  1  0.291678  0.939406  0.207373  1
  H  H15  1  0.628448  0.631197  0.223884  1
  H  H16  1  1.128448  0.631197  0.223884  1
  H  H17  1  0.459698  0.285432  0.215592  1
  H  H18  1  0.959698  0.285432  0.215592  1
  H  H19  1  0.526013  0.991399  0.239166  1
  H  H20  1  1.026013  0.991399  0.239166  1
  H  H21  1  0.363424  0.683125  0.255738  1
  H  H22  1  0.863424  0.683125  0.255738  1
  H  H23  1  0.194608  0.337267  0.247440  1
  H  H24  1  0.694608  0.337267  0.247440  1
  H  H25  1  0.260676  0.043261  0.270999  1
  H  H26  1  0.760676  0.043261  0.270999  1
  H  H27  1  1.098279  0.735002  0.287589  1
  H  H28  1  0.598279  0.735002  0.287589  1
  H  H29  1  0.929444  0.389136  0.279289  1
  H  H30  1  0.429444  0.389136  0.279289  1
  H  H31  1  0.995432  0.095114  0.302839  1
  H  H32  1  0.495432  0.095114  0.302839  1
  H  H33  1  0.833098  0.786860  0.319436  1
  H  H34  1  0.333098  0.786860  0.319436  1
  H  H35  1  0.664256  0.440988  0.311136  1
  H  H36  1  0.164256  0.440988  0.311136  1
  H  H37  1  0.730222  0.146961  0.334683  1
  H  H38  1  0.230222  0.146961  0.334683  1
  H  H39  1  0.567905  0.838708  0.351283  1
  H  H40  1  1.067905  0.838708  0.351283  1
  H  H41  1  0.399061  0.492835  0.342982  1
  H  H42  1  0.899061  0.492835  0.342982  1
  H  H43  1  0.465022  0.198807  0.366528  1
  H  H44  1  0.965022  0.198807  0.366528  1
  H  H45  1  0.302705  0.890554  0.383128  1
  H  H46  1  0.802705  0.890554  0.383128  1
  H  H47  1  1.133866  0.544680  0.374829  1
  H  H48  1  0.633866  0.544680  0.374829  1
  H  H49  1  0.199829  0.250655  0.398375  1
  H  H50  1  0.699829  0.250655  0.398375  1
  H  H51  1  1.037495  0.942400  0.414972  1
  H  H52  1  0.537495  0.942400  0.414972  1
  H  H53  1  0.868671  0.596527  0.406675  1
  H  H54  1  0.368671  0.596527  0.406675  1
  H  H55  1  0.934648  0.302513  0.430222  1
  H  H56  1  0.434648  0.302513  0.430222  1
  H  H57  1  0.772251  0.994254  0.446813  1
  H  H58  1  0.272251  0.994254  0.446813  1
  H  H59  1  0.603483  0.648379  0.438522  1
  H  H60  1  1.103483  0.648379  0.438522  1
  H  H61  1  0.669503  0.354389  0.462073  1
  H  H62  1  0.169503  0.354389  0.462073  1
  H  H63  1  0.506914  0.046116  0.478645  1
  H  H64  1  1.006914  0.046116  0.478645  1
  H  H65  1  0.338320  0.700247  0.470371  1
  H  H66  1  0.838320  0.700247  0.470371  1
  H  H67  1  0.404479  0.406318  0.493927  1
  H  H68  1  0.904479  0.406318  0.493927  1
  H  H69  1  0.241249  0.098109  0.510438  1
  H  H70  1  0.741249  0.098109  0.510438  1
  H  H71  1  1.073229  0.752083  0.502219  1
  H  H72  1  0.573229  0.752083  0.502219  1
  H  H73  1  1.139955  0.458055  0.525752  1
  H  H74  1  0.639955  0.458055  0.525752  1
  H  H75  1  0.975885  0.148864  0.542075  1
  H  H76  1  0.475885  0.148864  0.542075  1
  H  H77  1  0.808135  0.804538  0.533965  1
  H  H78  1  0.308135  0.804538  0.533965  1
  H  H79  1  0.876352  0.509872  0.557538  1
  H  H80  1  0.376352  0.509872  0.557538  1
  H  H81  1  0.708583  0.203918  0.574217  1
  H  H82  1  0.208583  0.203918  0.574217  1
  H  H83  1  0.545862  0.852423  0.566254  1
  H  H84  1  1.045862  0.852423  0.566254  1
