# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08030522
_cell_length_b   4.46508284
_cell_length_c   47.25756766
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.56605851
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H66
_cell_volume   1276.94954971
_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  0.585457  0.930124  0.291212  1
  H  H2  1  0.936012  0.837401  0.307197  1
  H  H3  1  0.223021  0.005462  0.277813  1
  H  H4  1  0.482711  0.409622  0.296256  1
  H  H5  1  0.777494  0.563245  0.267885  1
  H  H6  1  0.134303  0.490446  0.281791  1
  H  H7  1  0.645076  0.666784  0.334904  1
  H  H8  1  0.998960  0.579889  0.349086  1
  H  H9  1  0.292365  0.754189  0.321269  1
  H  H10  1  0.544391  0.148058  0.337601  1
  H  H11  1  0.839881  0.316798  0.310180  1
  H  H12  1  0.191185  0.234155  0.324203  1
  H  H13  1  0.704446  0.408515  0.376673  1
  H  H14  1  0.057030  0.323240  0.390761  1
  H  H15  1  0.352430  0.493866  0.362912  1
  H  H16  1  0.599946  0.892894  0.379405  1
  H  H17  1  0.896615  0.062316  0.351897  1
  H  H18  1  0.248750  0.978077  0.365690  1
  H  H19  1  0.760579  0.152682  0.418504  1
  H  H20  1  0.112225  0.067248  0.432454  1
  H  H21  1  0.409057  0.237922  0.404664  1
  H  H22  1  0.654212  0.637479  0.420955  1
  H  H23  1  0.951550  0.807343  0.393396  1
  H  H24  1  0.302986  0.722557  0.407169  1
  H  H25  1  0.814872  0.896634  0.460182  1
  H  H26  1  0.166198  0.811387  0.474084  1
  H  H27  1  0.463644  0.981840  0.446333  1
  H  H28  1  0.707994  0.382135  0.462551  1
  H  H29  1  0.005590  0.552262  0.434889  1
  H  H30  1  0.356868  0.467283  0.448722  1
  H  H31  1  0.868600  0.640912  0.501812  1
  H  H32  1  0.219831  0.555754  0.515676  1
  H  H33  1  0.517451  0.726105  0.487966  1
  H  H34  1  0.761612  0.126522  0.504153  1
  H  H35  1  0.059233  0.296873  0.476442  1
  H  H36  1  0.410463  0.211715  0.490306  1
  H  H37  1  0.922195  0.385344  0.543396  1
  H  H38  1  0.273474  0.300365  0.557229  1
  H  H39  1  0.571069  0.470492  0.529567  1
  H  H40  1  0.815420  0.870787  0.545785  1
  H  H41  1  0.112865  0.041240  0.518034  1
  H  H42  1  0.464191  0.955993  0.531936  1
  H  H43  1  0.976077  0.130070  0.584949  1
  H  H44  1  0.327514  0.045284  0.598722  1
  H  H45  1  0.624851  0.215148  0.571163  1
  H  H46  1  0.870006  0.614705  0.587454  1
  H  H47  1  0.166838  0.785379  0.559664  1
  H  H48  1  0.518484  0.699945  0.573614  1
  H  H49  1  0.030313  0.874550  0.626428  1
  H  H50  1  0.382449  0.790311  0.640221  1
  H  H51  1  0.679117  0.959733  0.612713  1
  H  H52  1  0.926633  0.358761  0.629207  1
  H  H53  1  0.222034  0.529387  0.601358  1
  H  H54  1  0.574618  0.444112  0.615445  1
  H  H55  1  0.087878  0.618472  0.667915  1
  H  H56  1  0.439183  0.535829  0.681938  1
  H  H57  1  0.734672  0.704569  0.654517  1
  H  H58  1  0.986698  0.098438  0.670849  1
  H  H59  1  0.280103  0.272738  0.643032  1
  H  H60  1  0.633987  0.185843  0.657214  1
  H  H61  1  0.144760  0.362181  0.710327  1
  H  H62  1  0.501570  0.289382  0.724233  1
  H  H63  1  0.796353  0.443005  0.695862  1
  H  H64  1  0.056042  0.847165  0.714305  1
  H  H65  1  0.343051  0.015225  0.684921  1
  H  H66  1  0.693606  0.922503  0.700906  1
