# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27192758
_cell_length_b   5.66833327
_cell_length_c   44.24154025
_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   H27
_cell_volume   569.744442848
_cell_formula_units_Z   13
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  0.712804  0.632945  0.327978  1
  H  H2  1  0.212804  0.984520  0.343273  1
  H  H3  1  0.712804  0.323949  0.359706  1
  H  H4  1  0.212804  0.668119  0.375533  1
  H  H5  1  0.712804  1.008194  0.390991  1
  H  H6  1  0.212804  0.350980  0.406525  1
  H  H7  1  0.712804  0.692829  0.422243  1
  H  H8  1  0.212804  1.035127  0.437882  1
  H  H9  1  0.712804  0.376939  0.453474  1
  H  H10  1  0.212804  0.719428  0.469191  1
  H  H11  1  0.712804  0.061686  0.484991  1
  H  H12  1  0.212804  0.403186  0.500346  1
  H  H13  1  0.712804  0.746270  0.516161  1
  H  H14  1  0.212804  0.088059  0.532291  1
  H  H15  1  0.712804  0.428421  0.546965  1
  H  H16  1  0.212804  0.773078  0.563378  1
  H  H17  1  0.712804  0.120668  0.580587  1
  H  H18  1  0.712804  0.510373  0.596104  1
  H  H19  1  0.212804  0.851499  0.614004  1
  H  H20  1  0.212804  0.240711  0.626576  1
  H  H21  1  0.712804  0.582107  0.646317  1
  H  H22  1  0.712804  0.975279  0.658652  1
  H  H23  1  0.212804  0.314426  0.677663  1
  H  H24  1  0.212804  0.706569  0.690382  1
  H  H25  1  0.712804  0.047858  0.709487  1
  H  H26  1  0.712804  0.435264  0.723111  1
  H  H27  1  0.212804  0.783255  0.741442  1
