# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94179865
_cell_length_b   8.49861927
_cell_length_c   46.74878802
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.38466981
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1523.53917643
_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  0.027929  0.531640  0.295375  1
  H  H2  1  0.783763  0.041320  0.284843  1
  H  H3  1  0.292869  0.818997  0.276749  1
  H  H4  1  0.266979  0.287165  0.287644  1
  H  H5  1  0.510785  0.499948  0.321381  1
  H  H6  1  0.263053  0.017836  0.310874  1
  H  H7  1  0.773922  0.768139  0.300960  1
  H  H8  1  0.744452  0.264627  0.313019  1
  H  H9  1  1.003682  0.465197  0.346316  1
  H  H10  1  0.736778  0.978322  0.334633  1
  H  H11  1  0.276433  0.748438  0.325754  1
  H  H12  1  0.210243  0.234433  0.337372  1
  H  H13  1  0.514490  0.432679  0.372040  1
  H  H14  1  0.199500  0.945881  0.359901  1
  H  H15  1  0.779361  0.713286  0.349311  1
  H  H16  1  0.666781  0.192801  0.360309  1
  H  H17  1  0.036052  0.416155  0.397900  1
  H  H18  1  0.656917  0.919987  0.385329  1
  H  H19  1  0.287651  0.676235  0.372330  1
  H  H20  1  0.123829  0.166162  0.384041  1
  H  H21  1  0.567777  0.423971  0.423879  1
  H  H22  1  0.124331  0.918606  0.411401  1
  H  H23  1  0.809526  0.661220  0.396375  1
  H  H24  1  0.594008  0.161865  0.407893  1
  H  H25  1  0.105611  0.450130  0.449466  1
  H  H26  1  0.608371  0.936335  0.437020  1
  H  H27  1  0.339458  0.673026  0.420140  1
  H  H28  1  0.081459  0.185371  0.432109  1
  H  H29  1  0.641292  0.472071  0.474596  1
  H  H30  1  0.096158  0.961849  0.462236  1
  H  H31  1  0.872534  0.695361  0.444522  1
  H  H32  1  0.570885  0.204614  0.456550  1
  H  H33  1  0.180384  0.495459  0.499883  1
  H  H34  1  0.581140  0.984169  0.487444  1
  H  H35  1  0.405284  0.716075  0.469099  1
  H  H36  1  0.057525  0.227270  0.481346  1
  H  H37  1  0.716867  0.517371  0.524780  1
  H  H38  1  0.064626  0.006177  0.512533  1
  H  H39  1  0.941767  0.737987  0.493996  1
  H  H40  1  0.541011  0.249277  0.506435  1
  H  H41  1  0.249617  0.538085  0.549358  1
  H  H42  1  0.551266  0.028832  0.537329  1
  H  H43  1  0.480860  0.761375  0.519284  1
  H  H44  1  0.025993  0.271597  0.531643  1
  H  H45  1  0.782693  0.560421  0.573739  1
  H  H46  1  0.040692  0.048075  0.561770  1
  H  H47  1  0.016540  0.783316  0.544414  1
  H  H48  1  0.513780  0.297111  0.556859  1
  H  H49  1  0.312625  0.572226  0.597504  1
  H  H50  1  0.528143  0.071581  0.585986  1
  H  H51  1  0.554374  0.809475  0.570000  1
  H  H52  1  0.997820  0.314841  0.582478  1
  H  H53  1  0.834500  0.557211  0.621549  1
  H  H54  1  0.998322  0.067284  0.609838  1
  H  H55  1  0.086099  0.817292  0.595979  1
  H  H56  1  0.465234  0.313459  0.608550  1
  H  H57  1  0.342790  0.520161  0.644568  1
  H  H58  1  0.455370  0.040645  0.633570  1
  H  H59  1  0.607661  0.800767  0.621839  1
  H  H60  1  0.922651  0.287565  0.633979  1
  H  H61  1  0.845718  0.485008  0.668126  1
  H  H62  1  0.911908  0.999014  0.656507  1
  H  H63  1  0.118469  0.768249  0.647563  1
  H  H64  1  0.385373  0.255124  0.659246  1
  H  H65  1  0.348229  0.465307  0.692919  1
  H  H66  1  0.377699  0.968819  0.680860  1
  H  H67  1  0.611366  0.733498  0.672498  1
  H  H68  1  0.859098  0.215610  0.683006  1
  H  H69  1  0.829282  0.414449  0.717130  1
  H  H70  1  0.855172  0.946281  0.706235  1
  H  H71  1  0.094222  0.701806  0.698505  1
  H  H72  1  0.338388  0.192126  0.709036  1
