# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.30353107
_cell_length_b   5.98473824
_cell_length_c   34.94197644
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.11915750
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2139.14078048
_cell_formula_units_Z   54
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  -0.077410  0.967890  0.441819  1
  H  H2  1  0.325364  0.992438  0.453439  1
  H  H3  1  0.720002  1.003816  0.468681  1
  H  H4  1  0.658697  0.659105  0.453439  1
  H  H5  1  0.053335  0.670482  0.468681  1
  H  H6  1  -0.007969  0.325772  0.453439  1
  H  H7  1  0.255923  0.634557  0.441819  1
  H  H8  1  0.589256  0.301224  0.441819  1
  H  H9  1  0.386668  0.337149  0.468681  1
  H  H10  1  0.120152  0.015485  0.479413  1
  H  H11  1  0.516875  0.032139  0.492137  1
  H  H12  1  -0.083446  0.052507  0.506399  1
  H  H13  1  0.850209  0.698806  0.492137  1
  H  H14  1  0.249887  0.719173  0.506399  1
  H  H15  1  0.183542  0.365473  0.492137  1
  H  H16  1  0.453485  0.682152  0.479413  1
  H  H17  1  0.786819  0.348818  0.479413  1
  H  H18  1  0.583220  0.385840  0.506399  1
  H  H19  1  0.314120  0.071128  0.518722  1
  H  H20  1  0.712469  0.089908  0.531886  1
  H  H21  1  0.110731  0.107529  0.543695  1
  H  H22  1  0.045803  0.756574  0.531886  1
  H  H23  1  0.444065  0.774196  0.543695  1
  H  H24  1  0.379136  0.423241  0.531886  1
  H  H25  1  0.647453  0.737794  0.518722  1
  H  H26  1  -0.019213  0.404461  0.518722  1
  H  H27  1  0.777398  0.440863  0.543695  1
  H  H28  1  0.508811  0.125836  0.556326  1
  H  H29  1  -0.092856  0.145532  0.569737  1
  H  H30  1  0.305433  0.164351  0.582351  1
  H  H31  1  0.240477  0.812198  0.569737  1
  H  H32  1  0.638766  0.831017  0.582351  1
  H  H33  1  0.573810  0.478865  0.569737  1
  H  H34  1  0.842145  0.792503  0.556326  1
  H  H35  1  0.175478  0.459169  0.556326  1
  H  H36  1  -0.027900  0.497684  0.582351  1
  H  H37  1  0.703425  0.182845  0.595283  1
  H  H38  1  0.101799  0.200476  0.607690  1
  H  H39  1  0.499797  0.218776  0.620441  1
  H  H40  1  0.435132  0.867143  0.607690  1
  H  H41  1  0.833130  0.885442  0.620441  1
  H  H42  1  0.768466  0.533809  0.607690  1
  H  H43  1  0.036759  0.849512  0.595283  1
  H  H44  1  0.370092  0.516179  0.595283  1
  H  H45  1  0.166464  0.552109  0.620441  1
  H  H46  1  -0.101816  0.237719  0.633454  1
  H  H47  1  0.296396  0.256575  0.646255  1
  H  H48  1  0.694564  0.274957  0.659063  1
  H  H49  1  0.629729  0.923241  0.646255  1
  H  H50  1  0.027898  0.941624  0.659063  1
  H  H51  1  -0.036937  0.589908  0.646255  1
  H  H52  1  0.231518  0.904386  0.633454  1
  H  H53  1  0.564851  0.571053  0.633454  1
  H  H54  1  0.361231  0.608290  0.659063  1
  H  H55  1  0.092813  0.292996  0.671607  1
  H  H56  1  0.490982  0.311379  0.684415  1
  H  H57  1  -0.110807  0.330234  0.697216  1
  H  H58  1  0.824315  0.978045  0.684415  1
  H  H59  1  0.222527  0.996900  0.697216  1
  H  H60  1  0.157648  0.644712  0.684415  1
  H  H61  1  0.426146  0.959663  0.671607  1
  H  H62  1  0.759480  0.626330  0.671607  1
  H  H63  1  0.555860  0.663567  0.697216  1
  H  H64  1  0.287580  0.349177  0.710229  1
  H  H65  1  0.685578  0.367477  0.722980  1
  H  H66  1  0.083952  0.385108  0.735387  1
  H  H67  1  0.018912  0.034144  0.722980  1
  H  H68  1  0.417285  0.051775  0.735387  1
  H  H69  1  0.352245  0.700811  0.722980  1
  H  H70  1  0.620914  0.015844  0.710229  1
  H  H71  1  -0.045753  0.682511  0.710229  1
  H  H72  1  0.750619  0.718441  0.735387  1
  H  H73  1  0.481944  0.403602  0.748319  1
  H  H74  1  -0.119766  0.422422  0.760932  1
  H  H75  1  0.278566  0.442117  0.774344  1
  H  H76  1  0.213567  0.089088  0.760932  1
  H  H77  1  0.611899  0.108784  0.774344  1
  H  H78  1  0.546900  0.755755  0.760932  1
  H  H79  1  0.815278  0.070269  0.748319  1
  H  H80  1  0.148611  0.736936  0.748319  1
  H  H81  1  -0.054767  0.775451  0.774344  1
  H  H82  1  0.676646  0.460424  0.786974  1
  H  H83  1  0.074908  0.478046  0.798784  1
  H  H84  1  0.473258  0.496825  0.811948  1
  H  H85  1  0.408241  0.144712  0.798784  1
  H  H86  1  0.806591  0.163492  0.811948  1
  H  H87  1  0.741575  0.811379  0.798784  1
  H  H88  1  0.009980  0.127091  0.786974  1
  H  H89  1  0.343313  0.793757  0.786974  1
  H  H90  1  0.139924  0.830159  0.811948  1
  H  H91  1  -0.129176  0.515446  0.824271  1
  H  H92  1  0.270502  0.535814  0.838532  1
  H  H93  1  0.667225  0.552468  0.851257  1
  H  H94  1  0.603835  0.202480  0.838532  1
  H  H95  1  0.000559  0.219135  0.851257  1
  H  H96  1  -0.062831  0.869147  0.838532  1
  H  H97  1  0.204157  0.182113  0.824271  1
  H  H98  1  0.537490  0.848780  0.824271  1
  H  H99  1  0.333892  0.885802  0.851257  1
  H  H100  1  0.067376  0.564138  0.861989  1
  H  H101  1  0.462014  0.575515  0.877231  1
  H  H102  1  -0.135212  0.600063  0.888850  1
  H  H103  1  0.795347  0.242182  0.877231  1
  H  H104  1  0.198121  0.266730  0.888850  1
  H  H105  1  0.128680  0.908848  0.877231  1
  H  H106  1  0.400709  0.230804  0.861989  1
  H  H107  1  0.734043  0.897471  0.861989  1
  H  H108  1  0.531454  0.933396  0.888850  1
