# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27338779
_cell_length_b   9.00721953
_cell_length_c   38.72119106
_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   H40
_cell_volume   792.890069524
_cell_formula_units_Z   20
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  1.018579  0.628338  0.393426  1
  H  H2  1  0.518579  0.076051  0.436995  1
  H  H3  1  1.018579  0.868807  0.412479  1
  H  H4  1  0.518579  0.694319  0.446464  1
  H  H5  1  0.518579  0.453952  0.428451  1
  H  H6  1  1.018579  0.256456  0.401830  1
  H  H7  1  0.518579  0.044039  0.378533  1
  H  H8  1  1.018579  0.518092  0.480159  1
  H  H9  1  1.018579  0.276728  0.461916  1
  H  H10  1  0.518579  0.748787  0.562941  1
  H  H11  1  1.018579  0.545524  0.538667  1
  H  H12  1  0.518579  0.341584  0.513988  1
  H  H13  1  0.518579  0.101095  0.495755  1
  H  H14  1  1.018579  0.898933  0.470817  1
  H  H15  1  0.518579  0.722221  0.504667  1
  H  H16  1  1.018579  0.164719  0.548181  1
  H  H17  1  1.018579  0.925487  0.529673  1
  H  H18  1  0.518579  0.398930  0.630880  1
  H  H19  1  1.018579  0.194290  0.606520  1
  H  H20  1  0.518579  -0.015121  0.582788  1
  H  H21  1  0.518579  0.784271  0.620756  1
  H  H22  1  1.018579  0.574860  0.597024  1
  H  H23  1  0.518579  0.370220  0.572664  1
  H  H24  1  1.018579  0.843663  0.673871  1
  H  H25  1  1.018579  0.604432  0.655363  1
  H  H26  1  0.518579  0.046929  0.698877  1
  H  H27  1  1.018579  0.870217  0.732727  1
  H  H28  1  0.518579  0.668055  0.707789  1
  H  H29  1  0.518579  0.427566  0.689557  1
  H  H30  1  1.018579  0.223626  0.664877  1
  H  H31  1  0.518579  0.020363  0.640604  1
  H  H32  1  1.018579  0.492422  0.741628  1
  H  H33  1  1.018579  0.251058  0.723385  1
  H  H34  1  0.518579  0.725111  0.825011  1
  H  H35  1  1.018579  0.512694  0.801714  1
  H  H36  1  0.518579  0.315199  0.775094  1
  H  H37  1  0.518579  0.074831  0.757080  1
  H  H38  1  1.018579  0.900343  0.791065  1
  H  H39  1  0.518579  0.693099  0.766549  1
  H  H40  1  1.018579  0.140812  0.810118  1
