# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27590479
_cell_length_b   8.02016766
_cell_length_c   47.88794564
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.23519777
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H44
_cell_volume   865.09187672
_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  0.113531  0.712355  0.272766  1
  H  H2  1  0.346937  0.178985  0.294284  1
  H  H3  1  0.253142  0.991045  0.258716  1
  H  H4  1  0.481411  0.448369  0.278408  1
  H  H5  1  0.579310  0.644103  0.314824  1
  H  H6  1  0.813137  0.111711  0.335922  1
  H  H7  1  0.716302  0.917810  0.300601  1
  H  H8  1  0.950472  0.386437  0.320959  1
  H  H9  1  0.046178  0.578097  0.356618  1
  H  H10  1  0.279451  0.044593  0.377541  1
  H  H11  1  0.183035  0.851581  0.341785  1
  H  H12  1  0.416563  0.318790  0.362504  1
  H  H13  1  0.512652  0.511184  0.398345  1
  H  H14  1  0.745939  0.977819  0.419230  1
  H  H15  1  0.649723  0.785211  0.383405  1
  H  H16  1  0.883028  0.251922  0.404198  1
  H  H17  1  0.979159  0.444398  0.440054  1
  H  H18  1  0.212429  0.911028  0.460914  1
  H  H19  1  0.116245  0.718472  0.425070  1
  H  H20  1  0.349528  0.185140  0.445899  1
  H  H21  1  0.445665  0.377621  0.481753  1
  H  H22  1  0.678933  0.844257  0.502598  1
  H  H23  1  0.582758  0.651716  0.466749  1
  H  H24  1  0.816026  0.118352  0.487595  1
  H  H25  1  0.912162  0.310833  0.523448  1
  H  H26  1  0.145446  0.777501  0.544277  1
  H  H27  1  0.049262  0.584945  0.508433  1
  H  H28  1  0.282531  0.051574  0.529294  1
  H  H29  1  0.378663  0.244051  0.565149  1
  H  H30  1  0.611967  0.710762  0.585942  1
  H  H31  1  0.515752  0.518154  0.550118  1
  H  H32  1  0.749038  0.984788  0.571003  1
  H  H33  1  0.845128  0.177183  0.606843  1
  H  H34  1  0.078656  0.644391  0.627562  1
  H  H35  1  0.982239  0.451380  0.591807  1
  H  H36  1  0.215512  0.917876  0.612729  1
  H  H37  1  0.311219  0.109536  0.648388  1
  H  H38  1  0.545388  0.578163  0.668746  1
  H  H39  1  0.448554  0.384262  0.633425  1
  H  H40  1  0.682381  0.851870  0.654524  1
  H  H41  1  0.780280  0.047603  0.690940  1
  H  H42  1  0.008548  0.504928  0.710631  1
  H  H43  1  0.914753  0.316988  0.675064  1
  H  H44  1  0.148160  0.783618  0.696581  1
