# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27712278
_cell_length_b   4.49002816
_cell_length_c   49.08603197
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.13099640
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H24
_cell_volume   485.067366541
_cell_formula_units_Z   12
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  0.450056  0.606772  0.285209  1
  H  H2  1  0.189049  0.129121  0.281168  1
  H  H3  1  0.062072  0.383944  0.322659  1
  H  H4  1  0.799530  0.908806  0.318692  1
  H  H5  1  0.673805  0.161290  0.359610  1
  H  H6  1  0.411341  0.686000  0.355488  1
  H  H7  1  0.285495  0.938646  0.396635  1
  H  H8  1  0.022904  0.463666  0.392507  1
  H  H9  1  0.897138  0.716145  0.433674  1
  H  H10  1  0.634541  0.241171  0.429541  1
  H  H11  1  0.508781  0.493644  0.470709  1
  H  H12  1  0.246177  0.018681  0.466576  1
  H  H13  1  0.120420  0.271148  0.507744  1
  H  H14  1  0.857817  0.796184  0.503611  1
  H  H15  1  0.732057  0.048658  0.544779  1
  H  H16  1  0.469460  0.573684  0.540646  1
  H  H17  1  0.343693  0.826162  0.581813  1
  H  H18  1  0.081103  0.351183  0.577685  1
  H  H19  1  0.955257  0.603829  0.618832  1
  H  H20  1  0.692792  0.128539  0.614710  1
  H  H21  1  0.567068  0.381022  0.655628  1
  H  H22  1  0.304526  0.905884  0.651661  1
  H  H23  1  0.177549  0.160708  0.693152  1
  H  H24  1  0.916541  0.683057  0.689111  1
