# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11245522
_cell_length_b   2.29800757
_cell_length_c   36.78441065
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.40625662
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H21
_cell_volume   427.517239093
_cell_formula_units_Z   10
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  -0.163762  0.331124  0.431077  1
  H  H2  1  0.238863  1.043244  0.449323  1
  H  H3  1  0.596655  0.736627  0.474460  1
  H  H4  1  -0.021373  0.459375  0.492511  1
  H  H5  1  0.340868  1.156619  0.514687  1
  H  H6  1  0.720266  0.887349  0.534730  1
  H  H7  1  0.088053  0.590967  0.555752  1
  H  H8  1  0.463000  0.311054  0.576223  1
  H  H9  1  -0.165640  1.019830  0.597324  1
  H  H10  1  0.207712  0.734752  0.617923  1
  H  H11  1  0.580056  0.446682  0.638793  1
  H  H12  1  -0.047600  1.158612  0.659663  1
  H  H13  1  0.325753  0.873534  0.680261  1
  H  H14  1  0.697113  0.582310  0.701362  1
  H  H15  1  0.072060  0.302397  0.721834  1
  H  H16  1  0.439846  1.006014  0.742855  1
  H  H17  1  -0.180755  0.736745  0.762899  1
  H  H18  1  0.181485  0.433989  0.785075  1
  H  H19  1  0.563458  1.156737  0.803126  1
  H  H20  1  -0.078750  0.850120  0.828263  1
  H  H21  1  0.323875  0.562240  0.846509  1
