# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07213805
_cell_length_b   4.45961686
_cell_length_c   47.14466064
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.56583560
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H66
_cell_volume   1270.63067943
_cell_formula_units_Z   33
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  0.590841  0.929363  0.291881  1
  H  H2  1  0.940903  0.836896  0.307730  1
  H  H3  1  0.229013  1.002853  0.278398  1
  H  H4  1  0.486458  0.409307  0.296612  1
  H  H5  1  0.781687  0.564402  0.268293  1
  H  H6  1  0.137788  0.488069  0.282172  1
  H  H7  1  0.648736  0.666438  0.335415  1
  H  H8  1  1.002007  0.579693  0.349584  1
  H  H9  1  0.296437  0.753086  0.321794  1
  H  H10  1  0.546721  0.148577  0.338001  1
  H  H11  1  0.843093  0.317024  0.310593  1
  H  H12  1  0.194148  0.234107  0.324613  1
  H  H13  1  0.706582  0.408519  0.377149  1
  H  H14  1  0.058715  0.323250  0.391213  1
  H  H15  1  0.355006  0.493720  0.363400  1
  H  H16  1  0.600924  0.893430  0.379755  1
  H  H17  1  0.898423  0.062919  0.352274  1
  H  H18  1  0.250067  0.978501  0.366052  1
  H  H19  1  0.761586  0.152706  0.418937  1
  H  H20  1  0.112978  0.067287  0.432877  1
  H  H21  1  0.410366  0.237920  0.405103  1
  H  H22  1  0.654486  0.637909  0.421313  1
  H  H23  1  0.952227  0.807893  0.393750  1
  H  H24  1  0.303433  0.723025  0.407519  1
  H  H25  1  0.815258  0.896650  0.460599  1
  H  H26  1  0.166443  0.811386  0.474497  1
  H  H27  1  0.464187  0.981875  0.446749  1
  H  H28  1  0.707903  0.382406  0.462920  1
  H  H29  1  0.005710  0.552651  0.435246  1
  H  H30  1  0.356869  0.467611  0.449083  1
  H  H31  1  0.868631  0.640857  0.502228  1
  H  H32  1  0.219765  0.555655  0.516094  1
  H  H33  1  0.517576  0.726087  0.488376  1
  H  H34  1  0.761228  0.126685  0.504529  1
  H  H35  1  0.059039  0.297117  0.476811  1
  H  H36  1  0.410173  0.211916  0.490678  1
  H  H37  1  0.921935  0.385161  0.543822  1
  H  H38  1  0.273094  0.300122  0.557659  1
  H  H39  1  0.570900  0.470366  0.529985  1
  H  H40  1  0.814617  0.870898  0.546156  1
  H  H41  1  0.112361  0.041386  0.518408  1
  H  H42  1  0.463546  0.956123  0.532306  1
  H  H43  1  0.975371  0.129747  0.585386  1
  H  H44  1  0.326577  0.044880  0.599155  1
  H  H45  1  0.624318  0.214863  0.571592  1
  H  H46  1  0.868438  0.614852  0.587802  1
  H  H47  1  0.165826  0.785485  0.560028  1
  H  H48  1  0.517218  0.700067  0.573968  1
  H  H49  1  0.028737  0.874272  0.626853  1
  H  H50  1  0.380381  0.789853  0.640631  1
  H  H51  1  0.677880  0.959343  0.613150  1
  H  H52  1  0.923798  0.359053  0.629505  1
  H  H53  1  0.220089  0.529523  0.601692  1
  H  H54  1  0.572222  0.444254  0.615756  1
  H  H55  1  0.084656  0.618665  0.668292  1
  H  H56  1  0.435711  0.535749  0.682312  1
  H  H57  1  0.732082  0.704195  0.654904  1
  H  H58  1  0.982367  0.099687  0.671111  1
  H  H59  1  0.276796  0.273079  0.643321  1
  H  H60  1  0.630068  0.186334  0.657490  1
  H  H61  1  0.141016  0.364704  0.710733  1
  H  H62  1  0.497117  0.288370  0.724612  1
  H  H63  1  0.792346  0.443465  0.696293  1
  H  H64  1  0.049790  0.849919  0.714507  1
  H  H65  1  0.337901  0.015877  0.685175  1
  H  H66  1  0.687963  0.923410  0.701024  1
