# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96914691
_cell_length_b   8.00964506
_cell_length_c   46.18249489
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.63526639
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1422.30683482
_cell_formula_units_Z   36
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  0.144188  0.900043  0.269926  1
  H  H2  1  0.938935  0.383378  0.280264  1
  H  H3  1  0.652666  0.145900  0.273881  1
  H  H4  1  0.429025  0.621179  0.285895  1
  H  H5  1  0.666783  0.867681  0.295446  1
  H  H6  1  0.440059  0.358243  0.308361  1
  H  H7  1  0.184202  0.117550  0.301137  1
  H  H8  1  0.950628  0.603360  0.312833  1
  H  H9  1  0.186159  0.845474  0.321128  1
  H  H10  1  0.949517  0.335961  0.333523  1
  H  H11  1  0.710149  0.090513  0.325852  1
  H  H12  1  0.473481  0.581659  0.338262  1
  H  H13  1  0.704901  0.823281  0.346430  1
  H  H14  1  0.467502  0.312069  0.358964  1
  H  H15  1  0.233186  0.068877  0.351158  1
  H  H16  1  0.996104  0.558380  0.363503  1
  H  H17  1  0.225717  0.800579  0.371790  1
  H  H18  1  0.987318  0.289517  0.384308  1
  H  H19  1  0.756493  0.046282  0.376200  1
  H  H20  1  0.518329  0.535352  0.388729  1
  H  H21  1  0.747296  0.777844  0.397093  1
  H  H22  1  0.508821  0.266541  0.409666  1
  H  H23  1  0.278915  0.023968  0.401426  1
  H  H24  1  0.040417  0.512512  0.413970  1
  H  H25  1  0.269289  0.755085  0.422395  1
  H  H26  1  0.030514  0.243775  0.434990  1
  H  H27  1  0.801070  1.001165  0.426664  1
  H  H28  1  0.562266  0.489762  0.439257  1
  H  H29  1  0.791322  0.732273  0.447687  1
  H  H30  1  0.552416  0.220941  0.460301  1
  H  H31  1  0.323046  0.978405  0.451940  1
  H  H32  1  0.084139  0.466998  0.464547  1
  H  H33  1  0.313296  0.709504  0.472983  1
  H  H34  1  0.074339  0.198140  0.485602  1
  H  H35  1  0.844990  0.955603  0.477223  1
  H  H36  1  0.606041  0.444220  0.489842  1
  H  H37  1  0.835229  0.686727  0.498278  1
  H  H38  1  0.596280  0.175344  0.510897  1
  H  H39  1  0.366931  0.932807  0.502517  1
  H  H40  1  0.127974  0.421443  0.515136  1
  H  H41  1  0.357131  0.663949  0.523572  1
  H  H42  1  0.118224  0.152541  0.536180  1
  H  H43  1  0.888854  0.910005  0.527818  1
  H  H44  1  0.649948  0.398674  0.540433  1
  H  H45  1  0.879004  0.641185  0.548862  1
  H  H46  1  0.640200  0.129782  0.561456  1
  H  H47  1  0.410756  0.887172  0.553130  1
  H  H48  1  0.171981  0.375862  0.565724  1
  H  H49  1  0.400853  0.618435  0.574150  1
  H  H50  1  0.162355  0.106979  0.586693  1
  H  H51  1  0.932449  0.864406  0.578454  1
  H  H52  1  0.693974  0.353102  0.591027  1
  H  H53  1  0.922941  0.595595  0.599391  1
  H  H54  1  0.684777  0.084665  0.611920  1
  H  H55  1  0.453953  0.841430  0.603812  1
  H  H56  1  0.215553  0.330368  0.616330  1
  H  H57  1  0.445166  0.572567  0.624616  1
  H  H58  1  0.208084  0.062070  0.636961  1
  H  H59  1  0.973768  0.818878  0.629155  1
  H  H60  1  0.736369  0.307666  0.641689  1
  H  H61  1  0.967789  0.549288  0.649857  1
  H  H62  1  0.731121  0.040434  0.662268  1
  H  H63  1  0.491753  0.794986  0.654596  1
  H  H64  1  0.255111  0.285473  0.666992  1
  H  H65  1  0.490642  0.527587  0.675287  1
  H  H66  1  0.257068  0.013397  0.686982  1
  H  H67  1  1.001211  0.772704  0.679758  1
  H  H68  1  0.774487  0.263266  0.692673  1
  H  H69  1  0.012245  0.509768  0.702225  1
  H  H70  1  0.788604  0.985047  0.714239  1
  H  H71  1  0.502335  0.747568  0.707855  1
  H  H72  1  0.297082  0.230904  0.718193  1
