# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.23216121
_cell_length_b   2.28720750
_cell_length_c   63.55264076
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.30570673
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H15
_cell_volume   301.48077328
_cell_formula_units_Z   7
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  0.064204  0.460501  0.154953  1
  H  H2  1  0.623584  1.013877  0.185083  1
  H  H3  1  0.184034  0.568335  0.214907  1
  H  H4  1  0.743189  1.121624  0.244828  1
  H  H5  1  0.302443  0.674998  0.274758  1
  H  H6  1  0.861725  0.228397  0.304688  1
  H  H7  1  0.420992  0.781783  0.334618  1
  H  H8  1  -0.019736  0.335173  0.364548  1
  H  H9  1  0.539535  0.888562  0.394478  1
  H  H10  1  0.098803  0.441948  0.424408  1
  H  H11  1  0.658084  0.995347  0.454338  1
  H  H12  1  0.217339  0.548721  0.484269  1
  H  H13  1  0.776494  1.102011  0.514189  1
  H  H14  1  0.336944  0.656469  0.544013  1
  H  H15  1  0.896324  0.209844  0.574143  1
