# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77917537
_cell_length_b   4.23682466
_cell_length_c   34.57977364
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.27595272
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H34
_cell_volume   697.810908427
_cell_formula_units_Z   17
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  0.647009  0.321419  0.441704  1
  H  H2  1  -0.120669  0.788966  0.454242  1
  H  H3  1  0.132365  0.231879  0.466137  1
  H  H4  1  0.351910  0.679153  0.478554  1
  H  H5  1  0.575415  1.086724  0.498096  1
  H  H6  1  0.796784  0.518473  0.508578  1
  H  H7  1  0.028903  0.951234  0.520876  1
  H  H8  1  0.245733  0.388722  0.533398  1
  H  H9  1  0.472199  0.803719  0.549202  1
  H  H10  1  0.695647  0.238060  0.562026  1
  H  H11  1  -0.077273  0.669913  0.574613  1
  H  H12  1  0.146233  0.101654  0.587404  1
  H  H13  1  0.369124  0.526159  0.601875  1
  H  H14  1  0.593598  0.956231  0.615082  1
  H  H15  1  -0.180494  0.386259  0.628230  1
  H  H16  1  0.042914  0.818131  0.641233  1
  H  H17  1  0.267487  0.245849  0.654901  1
  H  H18  1  0.491764  0.675318  0.668215  1
  H  H19  1  0.716338  0.103036  0.681883  1
  H  H20  1  -0.060255  0.534908  0.694886  1
  H  H21  1  0.165653  0.964936  0.708034  1
  H  H22  1  0.390127  0.395008  0.721241  1
  H  H23  1  0.613019  0.819513  0.735712  1
  H  H24  1  -0.163476  0.251254  0.748503  1
  H  H25  1  0.063604  0.683107  0.761090  1
  H  H26  1  0.287052  0.117448  0.773914  1
  H  H27  1  0.513518  0.532445  0.789718  1
  H  H28  1  0.730348  0.969933  0.802241  1
  H  H29  1  -0.037533  0.402694  0.814538  1
  H  H30  1  0.183836  0.834443  0.825020  1
  H  H31  1  0.407341  0.242014  0.844562  1
  H  H32  1  0.626886  0.689288  0.856979  1
  H  H33  1  -0.120080  0.132201  0.868874  1
  H  H34  1  0.112243  0.599748  0.881412  1
