# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20649218
_cell_length_b   3.89131601
_cell_length_c   36.48118490
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.71191624
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H44
_cell_volume   881.061367387
_cell_formula_units_Z   22
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  0.661194  0.567579  0.428734  1
  H  H2  1  0.297085  0.564803  0.448078  1
  H  H3  1  0.066283  0.065581  0.440713  1
  H  H4  1  0.712721  0.066649  0.463284  1
  H  H5  1  -0.060296  0.566027  0.470714  1
  H  H6  1  0.577291  0.566041  0.491592  1
  H  H7  1  0.359961  0.065319  0.482420  1
  H  H8  1  0.008187  0.065918  0.504373  1
  H  H9  1  0.221167  0.565683  0.511215  1
  H  H10  1  0.862322  0.565998  0.531962  1
  H  H11  1  0.654078  0.066115  0.525069  1
  H  H12  1  0.302044  0.066184  0.544839  1
  H  H13  1  0.504748  0.566144  0.552572  1
  H  H14  1  0.148251  0.566250  0.572337  1
  H  H15  1  -0.052484  0.066445  0.565829  1
  H  H16  1  0.592376  0.066616  0.586444  1
  H  H17  1  0.792198  0.566429  0.592987  1
  H  H18  1  0.435620  0.566564  0.613457  1
  H  H19  1  0.237188  0.066758  0.606697  1
  H  H20  1  -0.117986  0.066843  0.627316  1
  H  H21  1  0.080314  0.566633  0.633766  1
  H  H22  1  0.724678  0.566719  0.654238  1
  H  H23  1  0.526186  0.066945  0.647816  1
  H  H24  1  0.170550  0.067031  0.668287  1
  H  H25  1  0.368850  0.566821  0.674738  1
  H  H26  1  0.013676  0.566906  0.695356  1
  H  H27  1  0.815244  0.067100  0.688597  1
  H  H28  1  0.458666  0.067235  0.709067  1
  H  H29  1  0.658488  0.567047  0.715610  1
  H  H30  1  0.303348  0.567219  0.736224  1
  H  H31  1  0.102613  0.067414  0.729717  1
  H  H32  1  0.746116  0.067520  0.749482  1
  H  H33  1  -0.051180  0.567480  0.757215  1
  H  H34  1  0.596786  0.567549  0.776985  1
  H  H35  1  0.388542  0.067666  0.770092  1
  H  H36  1  0.029697  0.067981  0.790839  1
  H  H37  1  0.242677  0.567746  0.797681  1
  H  H38  1  -0.109097  0.568345  0.819634  1
  H  H39  1  0.673573  0.067623  0.810462  1
  H  H40  1  0.311160  0.067637  0.831340  1
  H  H41  1  0.538143  0.567015  0.838770  1
  H  H42  1  0.184581  0.568083  0.861340  1
  H  H43  1  -0.046220  0.068861  0.853975  1
  H  H44  1  0.589670  0.066085  0.873319  1
