# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14268930
_cell_length_b   5.05047153
_cell_length_c   47.68409327
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.18868506
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1856.23609402
_cell_formula_units_Z   36
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  0.868322  0.658390  0.294716  1
  H  H2  1  0.314739  0.426307  0.319716  1
  H  H3  1  0.845673  0.771634  0.305284  1
  H  H4  1  0.399257  0.003717  0.280284  1
  H  H5  1  0.091530  0.042349  0.307216  1
  H  H6  1  0.645114  0.274431  0.282216  1
  H  H7  1  0.068881  0.155593  0.317784  1
  H  H8  1  0.622465  0.387676  0.292784  1
  H  H9  1  0.761155  0.194225  0.344716  1
  H  H10  1  0.207571  0.962143  0.369716  1
  H  H11  1  0.738506  0.307470  0.355284  1
  H  H12  1  0.292090  0.539552  0.330284  1
  H  H13  1  0.984363  0.578184  0.357216  1
  H  H14  1  0.537947  0.810266  0.332216  1
  H  H15  1  0.961714  0.691429  0.367784  1
  H  H16  1  0.515298  0.923511  0.342784  1
  H  H17  1  0.653988  0.730060  0.394716  1
  H  H18  1  0.100404  0.497978  0.419716  1
  H  H19  1  0.631339  0.843305  0.405284  1
  H  H20  1  0.184923  0.075387  0.380284  1
  H  H21  1  0.877196  0.114019  0.407216  1
  H  H22  1  0.430780  0.346102  0.382216  1
  H  H23  1  0.854547  0.227264  0.417784  1
  H  H24  1  0.408131  0.459346  0.392784  1
  H  H25  1  0.546821  0.265896  0.444716  1
  H  H26  1  0.993237  0.033813  0.469716  1
  H  H27  1  0.524172  0.379140  0.455284  1
  H  H28  1  0.077755  0.611223  0.430284  1
  H  H29  1  0.770029  0.649855  0.457216  1
  H  H30  1  0.323613  0.881937  0.432216  1
  H  H31  1  0.747380  0.763099  0.467784  1
  H  H32  1  0.300964  0.995182  0.442784  1
  H  H33  1  0.439654  0.801731  0.494716  1
  H  H34  1  0.886070  0.569649  0.519716  1
  H  H35  1  0.417005  0.914976  0.505284  1
  H  H36  1  0.970588  0.147058  0.480284  1
  H  H37  1  0.662862  0.185690  0.507216  1
  H  H38  1  0.216446  0.417772  0.482216  1
  H  H39  1  0.640213  0.298935  0.517784  1
  H  H40  1  0.193797  0.531017  0.492784  1
  H  H41  1  0.332487  0.337567  0.544716  1
  H  H42  1  0.778903  0.105484  0.569716  1
  H  H43  1  0.309838  0.450811  0.555284  1
  H  H44  1  0.863421  0.682893  0.530284  1
  H  H45  1  0.555695  0.721525  0.557216  1
  H  H46  1  0.109278  0.953608  0.532216  1
  H  H47  1  0.533046  0.834770  0.567784  1
  H  H48  1  0.086630  0.066852  0.542784  1
  H  H49  1  0.225320  0.873402  0.594716  1
  H  H50  1  0.671736  0.641320  0.619716  1
  H  H51  1  0.202671  0.986646  0.605284  1
  H  H52  1  0.756254  0.218729  0.580284  1
  H  H53  1  0.448528  0.257361  0.607216  1
  H  H54  1  0.002111  0.489443  0.582216  1
  H  H55  1  0.425879  0.370605  0.617784  1
  H  H56  1  0.979462  0.602688  0.592784  1
  H  H57  1  0.118153  0.409237  0.644716  1
  H  H58  1  0.564569  0.177155  0.669716  1
  H  H59  1  0.095504  0.522482  0.655284  1
  H  H60  1  0.649087  0.754564  0.630284  1
  H  H61  1  0.341361  0.793196  0.657216  1
  H  H62  1  0.894944  0.025278  0.632216  1
  H  H63  1  0.318712  0.906441  0.667784  1
  H  H64  1  0.872295  0.138523  0.642784  1
  H  H65  1  0.010985  0.945073  0.694716  1
  H  H66  1  0.457402  0.712990  0.719716  1
  H  H67  1  0.988337  0.058317  0.705284  1
  H  H68  1  0.541920  0.290399  0.680284  1
  H  H69  1  0.234194  0.329031  0.707216  1
  H  H70  1  0.787777  0.561114  0.682216  1
  H  H71  1  0.211545  0.442276  0.717784  1
  H  H72  1  0.765128  0.674358  0.692784  1
