# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93874712
_cell_length_b   6.18476876
_cell_length_c   48.20236765
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H56
_cell_volume   1472.34174893
_cell_formula_units_Z   28
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  0.549794  0.601757  0.339265  1
  H  H2  1  0.049794  0.463734  0.316985  1
  H  H3  1  0.950206  0.408162  0.308015  1
  H  H4  1  0.450206  0.270139  0.285735  1
  H  H5  1  0.049794  0.908162  0.308015  1
  H  H6  1  0.549794  0.770139  0.285735  1
  H  H7  1  0.450206  0.101757  0.339265  1
  H  H8  1  0.950206  0.963734  0.316985  1
  H  H9  1  0.549794  0.988947  0.401765  1
  H  H10  1  0.049794  0.850924  0.379485  1
  H  H11  1  0.950206  0.795352  0.370515  1
  H  H12  1  0.450206  0.657329  0.348235  1
  H  H13  1  0.049794  0.295352  0.370515  1
  H  H14  1  0.549794  0.157329  0.348235  1
  H  H15  1  0.450206  0.488947  0.401765  1
  H  H16  1  0.950206  0.350924  0.379485  1
  H  H17  1  0.549794  0.376137  0.464265  1
  H  H18  1  0.049794  0.238114  0.441985  1
  H  H19  1  0.950206  0.182542  0.433015  1
  H  H20  1  0.450206  0.044519  0.410735  1
  H  H21  1  0.049794  0.682542  0.433015  1
  H  H22  1  0.549794  0.544519  0.410735  1
  H  H23  1  0.450206  0.876137  0.464265  1
  H  H24  1  0.950206  0.738114  0.441985  1
  H  H25  1  0.549794  0.763326  0.526765  1
  H  H26  1  0.049794  0.625303  0.504485  1
  H  H27  1  0.950206  0.569731  0.495515  1
  H  H28  1  0.450206  0.431708  0.473235  1
  H  H29  1  0.049794  0.069731  0.495515  1
  H  H30  1  0.549794  0.931708  0.473235  1
  H  H31  1  0.450206  0.263326  0.526765  1
  H  H32  1  0.950206  0.125303  0.504485  1
  H  H33  1  0.549794  0.150516  0.589265  1
  H  H34  1  0.049794  0.012493  0.566985  1
  H  H35  1  0.950206  0.956921  0.558015  1
  H  H36  1  0.450206  0.818898  0.535735  1
  H  H37  1  0.049794  0.456921  0.558015  1
  H  H38  1  0.549794  0.318898  0.535735  1
  H  H39  1  0.450206  0.650516  0.589265  1
  H  H40  1  0.950206  0.512493  0.566985  1
  H  H41  1  0.549794  0.537706  0.651765  1
  H  H42  1  0.049794  0.399683  0.629485  1
  H  H43  1  0.950206  0.344111  0.620515  1
  H  H44  1  0.450206  0.206088  0.598235  1
  H  H45  1  0.049794  0.844111  0.620515  1
  H  H46  1  0.549794  0.706088  0.598235  1
  H  H47  1  0.450206  0.037706  0.651765  1
  H  H48  1  0.950206  0.899683  0.629485  1
  H  H49  1  0.549794  0.924895  0.714265  1
  H  H50  1  0.049794  0.786872  0.691985  1
  H  H51  1  0.950206  0.731300  0.683015  1
  H  H52  1  0.450206  0.593277  0.660735  1
  H  H53  1  0.049794  0.231300  0.683015  1
  H  H54  1  0.549794  0.093277  0.660735  1
  H  H55  1  0.450206  0.424895  0.714265  1
  H  H56  1  0.950206  0.286872  0.691985  1
