# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43269995
_cell_length_b   3.94705508
_cell_length_c   47.13425391
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.39445463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H36
_cell_volume   743.676251767
_cell_formula_units_Z   18
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  0.354298  0.519856  0.283791  1
  H  H2  1  0.935736  0.317837  0.271842  1
  H  H3  1  0.254001  0.045088  0.310949  1
  H  H4  1  0.787443  0.896885  0.295814  1
  H  H5  1  0.162788  0.589265  0.334019  1
  H  H6  1  0.712852  0.445853  0.321354  1
  H  H7  1  0.079554  0.134524  0.358994  1
  H  H8  1  0.628544  1.000697  0.345563  1
  H  H9  1  0.994256  0.682064  0.383015  1
  H  H10  1  0.540163  0.554092  0.369402  1
  H  H11  1  0.909030  0.233176  0.407260  1
  H  H12  1  0.458349  0.105504  0.393549  1
  H  H13  1  0.824211  0.784014  0.431397  1
  H  H14  1  0.372548  0.657887  0.417477  1
  H  H15  1  0.738803  0.335762  0.455500  1
  H  H16  1  0.288007  0.209320  0.441586  1
  H  H17  1  0.653826  0.887319  0.479610  1
  H  H18  1  0.202923  0.761047  0.465643  1
  H  H19  1  0.568637  0.438973  0.503698  1
  H  H20  1  0.117734  0.312701  0.489731  1
  H  H21  1  0.483554  0.990700  0.527755  1
  H  H22  1  0.032758  0.864258  0.513841  1
  H  H23  1  0.399012  0.542133  0.551864  1
  H  H24  1  0.947349  0.416006  0.537944  1
  H  H25  1  0.313211  0.094516  0.575792  1
  H  H26  1  0.862530  0.966844  0.562081  1
  H  H27  1  0.231398  0.645928  0.599939  1
  H  H28  1  0.777304  0.517956  0.586326  1
  H  H29  1  0.143016  0.199323  0.623778  1
  H  H30  1  0.692006  0.065496  0.610347  1
  H  H31  1  0.058708  0.754166  0.647987  1
  H  H32  1  0.608772  0.610755  0.635322  1
  H  H33  1  0.984117  0.303135  0.673527  1
  H  H34  1  0.517559  0.154932  0.658392  1
  H  H35  1  0.835825  0.882183  0.697499  1
  H  H36  1  0.417263  0.680164  0.685550  1
