# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97198407
_cell_length_b   4.47909197
_cell_length_c   46.81433916
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.39002469
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H38
_cell_volume   746.074467634
_cell_formula_units_Z   19
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  0.702521  0.365222  0.270826  1
  H  H2  1  0.511304  0.787515  0.282824  1
  H  H3  1  0.126335  0.224914  0.294905  1
  H  H4  1  0.983924  0.691662  0.309764  1
  H  H5  1  0.578048  0.150286  0.320287  1
  H  H6  1  0.437818  0.600430  0.332990  1
  H  H7  1  0.023284  0.065240  0.344476  1
  H  H8  1  0.890507  0.516293  0.357917  1
  H  H9  1  0.469514  0.976655  0.368328  1
  H  H10  1  0.341429  0.430693  0.381964  1
  H  H11  1  0.917288  0.894282  0.392476  1
  H  H12  1  0.788874  0.344888  0.406221  1
  H  H13  1  0.363763  0.808260  0.416425  1
  H  H14  1  0.236843  0.259925  0.430383  1
  H  H15  1  0.811288  0.723492  0.440544  1
  H  H16  1  0.683956  0.174300  0.454512  1
  H  H17  1  0.258538  0.638259  0.464636  1
  H  H18  1  0.131269  0.089076  0.478649  1
  H  H19  1  0.705841  0.552953  0.488753  1
  H  H20  1  0.578562  0.003787  0.502770  1
  H  H21  1  0.153133  0.467664  0.512874  1
  H  H22  1  0.025864  0.918482  0.526886  1
  H  H23  1  0.600447  0.382440  0.537011  1
  H  H24  1  0.473114  0.833248  0.550978  1
  H  H25  1  0.047559  0.296815  0.561140  1
  H  H26  1  0.920640  0.748480  0.575098  1
  H  H27  1  0.495528  0.211852  0.585302  1
  H  H28  1  0.367114  0.662458  0.599047  1
  H  H29  1  0.942973  0.126048  0.609559  1
  H  H30  1  0.814889  0.580086  0.623195  1
  H  H31  1  0.393896  0.040447  0.633605  1
  H  H32  1  0.261119  0.491501  0.647047  1
  H  H33  1  0.846585  0.956310  0.658533  1
  H  H34  1  0.706355  0.406454  0.671236  1
  H  H35  1  0.300479  0.865078  0.681759  1
  H  H36  1  0.158067  0.331827  0.696617  1
  H  H37  1  0.773099  0.769225  0.708699  1
  H  H38  1  0.581881  0.191519  0.720697  1
