# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.44044965
_cell_length_b   4.71877695
_cell_length_c   33.10823938
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.15539983
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H78
_cell_volume   1552.64448931
_cell_formula_units_Z   39
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  -0.092677  0.989859  0.507183  1
  H  H2  1  0.516869  0.938658  0.496185  1
  H  H3  1  -0.090432  0.488885  0.506998  1
  H  H4  1  0.292574  0.043932  0.518607  1
  H  H5  1  0.689100  0.583187  0.529794  1
  H  H6  1  0.303279  0.537095  0.517270  1
  H  H7  1  0.076641  0.136848  0.541883  1
  H  H8  1  0.685161  0.092559  0.529560  1
  H  H9  1  0.080381  0.635508  0.541079  1
  H  H10  1  0.464767  0.196417  0.554965  1
  H  H11  1  0.853851  0.750049  0.565967  1
  H  H12  1  0.466944  0.689036  0.553294  1
  H  H13  1  0.242945  0.301647  0.577679  1
  H  H14  1  0.854156  0.248791  0.566346  1
  H  H15  1  0.243672  0.799350  0.577301  1
  H  H16  1  0.631702  0.353625  0.588904  1
  H  H17  1  0.019633  0.906312  0.599780  1
  H  H18  1  0.631269  0.853377  0.588355  1
  H  H19  1  0.407278  0.462870  0.612038  1
  H  H20  1  0.019468  0.408170  0.599792  1
  H  H21  1  0.407377  0.960453  0.611540  1
  H  H22  1  0.794856  0.517210  0.623246  1
  H  H23  1  0.182348  0.069922  0.634478  1
  H  H24  1  0.794796  0.015895  0.623295  1
  H  H25  1  0.570685  0.624412  0.645933  1
  H  H26  1  0.182428  0.570396  0.634644  1
  H  H27  1  0.570586  0.123112  0.645880  1
  H  H28  1  -0.041391  0.677826  0.657197  1
  H  H29  1  0.346184  0.231654  0.668769  1
  H  H30  1  -0.041457  0.177815  0.657108  1
  H  H31  1  0.734312  0.785911  0.680411  1
  H  H32  1  0.346067  0.732518  0.668891  1
  H  H33  1  0.734208  0.286060  0.680337  1
  H  H34  1  0.122067  0.840052  0.691854  1
  H  H35  1  0.510176  0.393722  0.703295  1
  H  H36  1  0.122158  0.339756  0.691816  1
  H  H37  1  -0.101695  0.947655  0.714797  1
  H  H38  1  0.510141  0.893749  0.703329  1
  H  H39  1  -0.101614  0.447382  0.714756  1
  H  H40  1  0.286009  0.001832  0.726386  1
  H  H41  1  0.674255  0.555464  0.737812  1
  H  H42  1  0.286090  0.501558  0.726345  1
  H  H43  1  0.062237  0.109457  0.749326  1
  H  H44  1  0.674219  0.055491  0.737846  1
  H  H45  1  0.062328  0.609162  0.749288  1
  H  H46  1  0.450187  0.163154  0.760804  1
  H  H47  1  0.838329  0.716696  0.772251  1
  H  H48  1  0.450083  0.663303  0.760731  1
  H  H49  1  0.225852  0.271398  0.784033  1
  H  H50  1  0.838211  0.217559  0.772372  1
  H  H51  1  0.225786  0.771387  0.783945  1
  H  H52  1  0.613810  0.326101  0.795261  1
  H  H53  1  0.001967  0.878817  0.806497  1
  H  H54  1  0.613710  0.824801  0.795208  1
  H  H55  1  0.389599  0.433318  0.817847  1
  H  H56  1  0.002047  0.379291  0.806664  1
  H  H57  1  0.389539  0.932003  0.817895  1
  H  H58  1  0.777019  0.488760  0.829601  1
  H  H59  1  0.164927  0.041043  0.841350  1
  H  H60  1  0.777117  0.986343  0.829103  1
  H  H61  1  0.553126  0.595837  0.852787  1
  H  H62  1  0.164762  0.542902  0.841361  1
  H  H63  1  0.552693  0.095588  0.852237  1
  H  H64  1  -0.059277  0.649863  0.863840  1
  H  H65  1  0.330239  0.200422  0.874795  1
  H  H66  1  -0.058550  0.147567  0.863463  1
  H  H67  1  0.717451  0.760178  0.887848  1
  H  H68  1  0.330544  0.699164  0.875174  1
  H  H69  1  0.719629  0.252797  0.886176  1
  H  H70  1  0.104015  0.813705  0.900063  1
  H  H71  1  0.499234  0.356654  0.911581  1
  H  H72  1  0.107755  0.312366  0.899258  1
  H  H73  1  -0.118884  0.912119  0.923871  1
  H  H74  1  0.495295  0.866026  0.911347  1
  H  H75  1  -0.108179  0.405281  0.922534  1
  H  H76  1  0.274828  0.960328  0.934144  1
  H  H77  1  0.667526  0.510556  0.944956  1
  H  H78  1  0.277072  0.459354  0.933958  1
