# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84866230
_cell_length_b   5.91771436
_cell_length_c   45.72975600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.42213331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H46
_cell_volume   770.853344204
_cell_formula_units_Z   23
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  0.029167  0.608100  0.280582  1
  H  H2  1  0.530187  0.059423  0.290386  1
  H  H3  1  0.031003  0.520517  0.298222  1
  H  H4  1  0.532023  0.971841  0.308026  1
  H  H5  1  0.033174  0.416890  0.319094  1
  H  H6  1  0.534194  0.868214  0.328898  1
  H  H7  1  0.035165  0.321866  0.338233  1
  H  H8  1  0.536185  0.773189  0.348037  1
  H  H9  1  0.037231  0.223298  0.358086  1
  H  H10  1  0.538251  0.674621  0.367889  1
  H  H11  1  0.039260  0.126437  0.377594  1
  H  H12  1  0.540280  0.577760  0.387398  1
  H  H13  1  0.041306  0.028800  0.397260  1
  H  H14  1  0.542326  0.480124  0.407063  1
  H  H15  1  0.043345  0.931526  0.416851  1
  H  H16  1  0.544365  0.382850  0.426655  1
  H  H17  1  0.045387  0.834085  0.436477  1
  H  H18  1  0.546407  0.285409  0.446281  1
  H  H19  1  0.047427  0.736722  0.456087  1
  H  H20  1  0.548447  0.188046  0.465891  1
  H  H21  1  0.049468  0.639324  0.475704  1
  H  H22  1  0.550488  0.090647  0.485508  1
  H  H23  1  0.051509  0.541939  0.495319  1
  H  H24  1  0.552529  0.993262  0.505123  1
  H  H25  1  0.053549  0.444553  0.514933  1
  H  H26  1  0.554569  0.895877  0.524737  1
  H  H27  1  0.055590  0.347155  0.534550  1
  H  H28  1  0.556610  0.798479  0.544354  1
  H  H29  1  0.057631  0.249792  0.554160  1
  H  H30  1  0.558651  0.701115  0.563964  1
  H  H31  1  0.059672  0.152351  0.573786  1
  H  H32  1  0.560692  0.603674  0.583590  1
  H  H33  1  0.061711  0.055077  0.593378  1
  H  H34  1  0.562731  0.506401  0.603182  1
  H  H35  1  0.063757  0.957441  0.613043  1
  H  H36  1  0.564777  0.408764  0.622847  1
  H  H37  1  0.065786  0.860579  0.632552  1
  H  H38  1  0.566807  0.311903  0.642356  1
  H  H39  1  0.067852  0.762011  0.652404  1
  H  H40  1  0.568872  0.213335  0.662208  1
  H  H41  1  0.069843  0.666987  0.671543  1
  H  H42  1  0.570863  0.118311  0.681347  1
  H  H43  1  0.072015  0.563360  0.692415  1
  H  H44  1  0.573035  0.014683  0.702219  1
  H  H45  1  0.073850  0.475777  0.710055  1
  H  H46  1  0.574870  0.927101  0.719859  1
