# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79610329
_cell_length_b   3.04603283
_cell_length_c   45.46334252
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   67.32150605
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H44
_cell_volume   740.601382085
_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  0.485080  0.526207  0.292049  1
  H  H2  1  0.950633  0.612717  0.281845  1
  H  H3  1  0.547064  0.370546  0.310410  1
  H  H4  1  0.012617  0.457055  0.300206  1
  H  H5  1  0.620403  0.186369  0.332134  1
  H  H6  1  0.085955  0.272878  0.321930  1
  H  H7  1  0.687653  0.017482  0.352055  1
  H  H8  1  0.153206  0.103991  0.341851  1
  H  H9  1  0.757411  0.842297  0.372719  1
  H  H10  1  0.222964  0.928806  0.362514  1
  H  H11  1  0.825962  0.670146  0.393024  1
  H  H12  1  0.291514  0.756655  0.382820  1
  H  H13  1  0.895061  0.496616  0.413493  1
  H  H14  1  0.360613  0.583125  0.403289  1
  H  H15  1  0.963902  0.323732  0.433885  1
  H  H16  1  0.429455  0.410242  0.423681  1
  H  H17  1  0.032864  0.150549  0.454313  1
  H  H18  1  0.498416  0.237058  0.444109  1
  H  H19  1  0.101768  0.977507  0.474724  1
  H  H20  1  0.567321  0.064017  0.464520  1
  H  H21  1  0.170701  0.804395  0.495143  1
  H  H22  1  0.636253  0.890904  0.484939  1
  H  H23  1  0.239617  0.631326  0.515557  1
  H  H24  1  0.705169  0.717836  0.505353  1
  H  H25  1  0.308549  0.458214  0.535976  1
  H  H26  1  0.774102  0.544723  0.525772  1
  H  H27  1  0.377454  0.285172  0.556387  1
  H  H28  1  0.843006  0.371681  0.546183  1
  H  H29  1  0.446415  0.111989  0.576815  1
  H  H30  1  0.911968  0.198498  0.566611  1
  H  H31  1  0.515257  0.939105  0.597207  1
  H  H32  1  0.980809  0.025614  0.587003  1
  H  H33  1  0.584356  0.765575  0.617676  1
  H  H34  1  0.049908  0.852085  0.607471  1
  H  H35  1  0.652906  0.593424  0.637981  1
  H  H36  1  0.118459  0.679933  0.627777  1
  H  H37  1  0.722664  0.418239  0.658645  1
  H  H38  1  0.188217  0.504748  0.648441  1
  H  H39  1  0.789915  0.249352  0.678566  1
  H  H40  1  0.255467  0.335862  0.668362  1
  H  H41  1  0.863253  0.065176  0.700290  1
  H  H42  1  0.328806  0.151685  0.690086  1
  H  H43  1  0.925237  0.909514  0.718651  1
  H  H44  1  0.390790  0.996023  0.708447  1
