# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08026382
_cell_length_b   4.46507169
_cell_length_c   47.25783578
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.56605851
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H66
_cell_volume   1276.94491178
_cell_formula_units_Z   33
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  0.585472  0.930122  0.291210  1
  H  H2  1  0.936026  0.837400  0.307195  1
  H  H3  1  0.223036  0.005457  0.277811  1
  H  H4  1  0.482722  0.409622  0.296253  1
  H  H5  1  0.777505  0.563246  0.267882  1
  H  H6  1  0.134315  0.490442  0.281788  1
  H  H7  1  0.645088  0.666784  0.334902  1
  H  H8  1  0.998970  0.579889  0.349083  1
  H  H9  1  0.292377  0.754186  0.321267  1
  H  H10  1  0.544400  0.148060  0.337599  1
  H  H11  1  0.839891  0.316798  0.310178  1
  H  H12  1  0.191195  0.234155  0.324200  1
  H  H13  1  0.704453  0.408516  0.376671  1
  H  H14  1  0.057036  0.323240  0.390758  1
  H  H15  1  0.352439  0.493866  0.362909  1
  H  H16  1  0.599953  0.892896  0.379402  1
  H  H17  1  0.896622  0.062317  0.351894  1
  H  H18  1  0.248757  0.978079  0.365687  1
  H  H19  1  0.760585  0.152683  0.418501  1
  H  H20  1  0.112230  0.067248  0.432451  1
  H  H21  1  0.409063  0.237922  0.404662  1
  H  H22  1  0.654217  0.637482  0.420952  1
  H  H23  1  0.951556  0.807345  0.393393  1
  H  H24  1  0.302992  0.722559  0.407166  1
  H  H25  1  0.814876  0.896634  0.460180  1
  H  H26  1  0.166202  0.811388  0.474081  1
  H  H27  1  0.463648  0.981841  0.446331  1
  H  H28  1  0.707999  0.382137  0.462548  1
  H  H29  1  0.005594  0.552264  0.434886  1
  H  H30  1  0.356873  0.467285  0.448719  1
  H  H31  1  0.868603  0.640913  0.501809  1
  H  H32  1  0.219834  0.555755  0.515673  1
  H  H33  1  0.517455  0.726106  0.487963  1
  H  H34  1  0.761616  0.126524  0.504150  1
  H  H35  1  0.059237  0.296875  0.476439  1
  H  H36  1  0.410467  0.211716  0.490304  1
  H  H37  1  0.922198  0.385344  0.543393  1
  H  H38  1  0.273476  0.300365  0.557226  1
  H  H39  1  0.571072  0.470492  0.529564  1
  H  H40  1  0.815422  0.870789  0.545782  1
  H  H41  1  0.112868  0.041242  0.518031  1
  H  H42  1  0.464194  0.955995  0.531933  1
  H  H43  1  0.976079  0.130071  0.584946  1
  H  H44  1  0.327515  0.045284  0.598719  1
  H  H45  1  0.624853  0.215148  0.571160  1
  H  H46  1  0.870007  0.614707  0.587451  1
  H  H47  1  0.166840  0.785381  0.559662  1
  H  H48  1  0.518486  0.699947  0.573611  1
  H  H49  1  0.030313  0.874551  0.626425  1
  H  H50  1  0.382448  0.790312  0.640218  1
  H  H51  1  0.679118  0.959734  0.612710  1
  H  H52  1  0.926631  0.358763  0.629204  1
  H  H53  1  0.222034  0.529389  0.601355  1
  H  H54  1  0.574617  0.444114  0.615442  1
  H  H55  1  0.087875  0.618474  0.667913  1
  H  H56  1  0.439179  0.535831  0.681935  1
  H  H57  1  0.734670  0.704570  0.654514  1
  H  H58  1  0.986694  0.098443  0.670846  1
  H  H59  1  0.280100  0.272741  0.643029  1
  H  H60  1  0.633983  0.185846  0.657211  1
  H  H61  1  0.144756  0.362188  0.710325  1
  H  H62  1  0.501565  0.289383  0.724230  1
  H  H63  1  0.796348  0.443008  0.695859  1
  H  H64  1  0.056034  0.847173  0.714301  1
  H  H65  1  0.343044  0.015230  0.684918  1
  H  H66  1  0.693598  0.922507  0.700903  1
