# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92064475
_cell_length_b   5.36550546
_cell_length_c   46.88267605
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.73596617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1518.70509308
_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  0.611207  0.502991  0.302840  1
  H  H2  1  0.077913  0.498504  0.300003  1
  H  H3  1  0.499915  0.229599  0.328841  1
  H  H4  1  0.990626  0.206045  0.325613  1
  H  H5  1  0.241492  0.715693  0.324045  1
  H  H6  1  0.749573  0.719937  0.329983  1
  H  H7  1  0.361041  1.007777  0.301745  1
  H  H8  1  0.828218  0.995204  0.300964  1
  H  H9  1  0.404934  0.913479  0.350540  1
  H  H10  1  0.923517  0.906633  0.352432  1
  H  H11  1  0.327172  0.593180  0.373087  1
  H  H12  1  0.846144  0.601413  0.378329  1
  H  H13  1  0.084083  0.100632  0.376000  1
  H  H14  1  0.588976  0.093968  0.375565  1
  H  H15  1  0.152301  0.408636  0.349442  1
  H  H16  1  0.675271  0.412128  0.353735  1
  H  H17  1  0.256745  0.282822  0.398904  1
  H  H18  1  0.761000  0.286454  0.401106  1
  H  H19  1  0.187081  0.976223  0.425613  1
  H  H20  1  0.675524  0.968017  0.422920  1
  H  H21  1  0.938654  0.473830  0.425850  1
  H  H22  1  0.422253  0.471233  0.422769  1
  H  H23  1  0.019294  0.787577  0.401873  1
  H  H24  1  0.499586  0.780676  0.397956  1
  H  H25  1  0.109609  0.665269  0.450491  1
  H  H26  1  0.594284  0.656445  0.446669  1
  H  H27  1  0.024821  0.349399  0.473228  1
  H  H28  1  0.522313  0.349361  0.472661  1
  H  H29  1  0.764819  0.845383  0.471097  1
  H  H30  1  0.282233  0.853046  0.474697  1
  H  H31  1  0.849792  0.158702  0.448123  1
  H  H32  1  0.355322  0.162470  0.449109  1
  H  H33  1  0.938219  0.034058  0.495700  1
  H  H34  1  0.451639  0.041490  0.498770  1
  H  H35  1  0.858802  0.723086  0.520025  1
  H  H36  1  0.372222  0.730518  0.523095  1
  H  H37  1  0.620548  0.228501  0.522530  1
  H  H38  1  0.111409  0.224405  0.520559  1
  H  H39  1  0.689893  0.536075  0.496265  1
  H  H40  1  0.199032  0.540171  0.498237  1
  H  H41  1  0.788128  0.415216  0.546135  1
  H  H42  1  0.285620  0.415178  0.545567  1
  H  H43  1  0.716157  0.108131  0.572126  1
  H  H44  1  0.200833  0.099308  0.568304  1
  H  H45  1  0.460649  0.605874  0.570673  1
  H  H46  1  0.955119  0.602106  0.569686  1
  H  H47  1  0.545623  0.919193  0.547699  1
  H  H48  1  0.028208  0.911531  0.544099  1
  H  H49  1  0.634918  0.796559  0.595875  1
  H  H50  1  0.123360  0.788353  0.593182  1
  H  H51  1  0.549441  0.478122  0.617689  1
  H  H52  1  0.053696  0.481754  0.619891  1
  H  H53  1  0.291147  0.976999  0.616922  1
  H  H54  1  0.810855  0.983900  0.620839  1
  H  H55  1  0.371787  0.290746  0.592946  1
  H  H56  1  0.888188  0.293343  0.596026  1
  H  H57  1  0.464298  0.163163  0.640466  1
  H  H58  1  0.983269  0.171396  0.645708  1
  H  H59  1  0.386924  0.857943  0.666363  1
  H  H60  1  0.905507  0.851097  0.668255  1
  H  H61  1  0.158141  0.355940  0.669353  1
  H  H62  1  0.635170  0.352448  0.665060  1
  H  H63  1  0.226359  0.663945  0.642795  1
  H  H64  1  0.721465  0.670608  0.643230  1
  H  H65  1  0.319815  0.558531  0.693183  1
  H  H66  1  0.810527  0.534977  0.689954  1
  H  H67  1  0.232528  0.266072  0.718792  1
  H  H68  1  0.699234  0.261585  0.715955  1
  H  H69  1  0.949400  0.756799  0.717050  1
  H  H70  1  0.482224  0.769373  0.717831  1
  H  H71  1  0.068949  0.048884  0.694751  1
  H  H72  1  0.560868  0.044640  0.688813  1
