# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27459004
_cell_length_b   6.18241417
_cell_length_c   62.52030726
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   856.92760779
_cell_formula_units_Z   21
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  0.644002  0.982403  0.158410  1
  H  H2  1  0.293092  0.291961  0.173437  1
  H  H3  1  0.969034  0.635462  0.165240  1
  H  H4  1  1.117371  0.925069  0.190520  1
  H  H5  1  0.765764  0.231691  0.205534  1
  H  H6  1  0.443754  0.579459  0.197710  1
  H  H7  1  0.596161  0.864249  0.222145  1
  H  H8  1  0.240843  0.169705  0.237386  1
  H  H9  1  0.919010  0.517530  0.229664  1
  H  H10  1  1.072293  0.803600  0.254012  1
  H  H11  1  0.716617  0.108883  0.269348  1
  H  H12  1  0.394374  0.456298  0.261636  1
  H  H13  1  0.547866  0.742847  0.285919  1
  H  H14  1  1.192260  1.048073  0.301318  1
  H  H15  1  0.869923  0.395489  0.293601  1
  H  H16  1  1.023404  0.682257  0.317852  1
  H  H17  1  0.667876  0.987430  0.333286  1
  H  H18  1  0.345532  0.334846  0.325562  1
  H  H19  1  0.498919  0.621720  0.349800  1
  H  H20  1  1.143450  0.926872  0.365250  1
  H  H21  1  0.821147  0.274296  0.357523  1
  H  H22  1  0.296762  0.213773  0.389484  1
  H  H23  1  0.974459  0.561197  0.381757  1
  H  H24  1  0.618990  0.866349  0.397207  1
  H  H25  1  0.772377  0.153223  0.421445  1
  H  H26  1  0.450032  0.500639  0.413721  1
  H  H27  1  1.094505  0.805812  0.429155  1
  H  H28  1  0.247985  0.092580  0.453406  1
  H  H29  1  0.925649  0.439996  0.445689  1
  H  H30  1  0.570043  0.745222  0.461088  1
  H  H31  1  0.723535  1.031771  0.485371  1
  H  H32  1  0.401292  0.379186  0.477659  1
  H  H33  1  1.045616  0.684469  0.492995  1
  H  H34  1  1.198899  0.970540  0.517343  1
  H  H35  1  0.877066  0.318364  0.509621  1
  H  H36  1  0.521747  0.623820  0.524862  1
  H  H37  1  0.674155  0.908610  0.549297  1
  H  H38  1  0.352145  0.256378  0.541473  1
  H  H39  1  1.000537  0.563000  0.556487  1
  H  H40  1  1.148875  0.852607  0.581767  1
  H  H41  1  0.824817  0.196109  0.573570  1
  H  H42  1  0.473907  0.505666  0.588597  1
