# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89865279
_cell_length_b   13.91209074
_cell_length_c   48.05077070
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.94723546
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   2580.49901516
_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  0.680025  0.639601  0.336984  1
  H  H2  1  0.384988  0.229675  0.313174  1
  H  H3  1  0.089950  0.819752  0.289365  1
  H  H4  1  0.267494  0.464663  0.317142  1
  H  H5  1  0.972456  0.054739  0.293333  1
  H  H6  1  0.562532  0.874588  0.340952  1
  H  H7  1  0.285694  0.428264  0.305827  1
  H  H8  1  0.875768  0.248115  0.353446  1
  H  H9  1  0.580731  0.838190  0.329637  1
  H  H10  1  0.698225  0.603202  0.325668  1
  H  H11  1  0.403187  0.193277  0.301859  1
  H  H12  1  0.993262  0.013127  0.349478  1
  H  H13  1  0.565137  0.869377  0.408412  1
  H  H14  1  0.270100  0.459451  0.384603  1
  H  H15  1  0.975063  0.049526  0.360793  1
  H  H16  1  0.152606  0.694439  0.388571  1
  H  H17  1  0.857569  0.284514  0.364761  1
  H  H18  1  0.447644  0.104364  0.412380  1
  H  H19  1  0.170806  0.658040  0.377256  1
  H  H20  1  0.760880  0.477891  0.424875  1
  H  H21  1  0.465843  0.067965  0.401065  1
  H  H22  1  0.583337  0.832978  0.397097  1
  H  H23  1  0.288300  0.423052  0.373288  1
  H  H24  1  0.878374  0.242903  0.420907  1
  H  H25  1  0.450249  0.099152  0.479841  1
  H  H26  1  0.155212  0.689227  0.456031  1
  H  H27  1  0.860175  0.279302  0.432222  1
  H  H28  1  0.037718  0.924215  0.459999  1
  H  H29  1  0.742681  0.514289  0.436190  1
  H  H30  1  0.332756  0.334140  0.483809  1
  H  H31  1  0.055918  0.887816  0.448684  1
  H  H32  1  0.645993  0.707666  0.496303  1
  H  H33  1  0.350955  0.297741  0.472494  1
  H  H34  1  0.468449  0.062754  0.468526  1
  H  H35  1  0.173412  0.652828  0.444716  1
  H  H36  1  0.763486  0.472679  0.492335  1
  H  H37  1  0.335362  0.328928  0.551269  1
  H  H38  1  0.040324  0.919003  0.527460  1
  H  H39  1  0.745287  0.509078  0.503650  1
  H  H40  1  0.922830  0.153991  0.531428  1
  H  H41  1  0.627793  0.744065  0.507618  1
  H  H42  1  0.217868  0.563916  0.555238  1
  H  H43  1  0.941030  0.117592  0.520113  1
  H  H44  1  0.531105  0.937442  0.567732  1
  H  H45  1  0.236067  0.527517  0.543922  1
  H  H46  1  0.353561  0.292529  0.539954  1
  H  H47  1  0.058524  0.882604  0.516145  1
  H  H48  1  0.648598  0.702455  0.563764  1
  H  H49  1  0.220474  0.558704  0.622698  1
  H  H50  1  0.925436  0.148779  0.598888  1
  H  H51  1  0.630399  0.738853  0.575079  1
  H  H52  1  0.807943  0.383766  0.602857  1
  H  H53  1  0.512905  0.973841  0.579047  1
  H  H54  1  0.102980  0.793692  0.626666  1
  H  H55  1  0.826142  0.347367  0.591542  1
  H  H56  1  0.416217  0.167218  0.639161  1
  H  H57  1  0.121179  0.757293  0.615351  1
  H  H58  1  0.238673  0.522305  0.611383  1
  H  H59  1  0.943636  0.112380  0.587573  1
  H  H60  1  0.533711  0.932230  0.635192  1
  H  H61  1  0.105586  0.788480  0.694126  1
  H  H62  1  0.810548  0.378555  0.670317  1
  H  H63  1  0.515511  0.968629  0.646507  1
  H  H64  1  0.693055  0.613542  0.674285  1
  H  H65  1  0.398017  0.203617  0.650476  1
  H  H66  1  0.988092  0.023467  0.698095  1
  H  H67  1  0.711254  0.577143  0.662970  1
  H  H68  1  0.301330  0.396992  0.710589  1
  H  H69  1  0.006291  0.987069  0.686780  1
  H  H70  1  0.123785  0.752081  0.682811  1
  H  H71  1  0.828748  0.342156  0.659002  1
  H  H72  1  0.418823  0.162005  0.706620  1
