# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42577018
_cell_length_b   6.00230366
_cell_length_c   78.59623135
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H117
_cell_volume   2435.47369214
_cell_formula_units_Z   58
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  1.119155  1.048655  0.087406  1
  H  H2  1  0.452488  0.715321  0.087406  1
  H  H3  1  0.436795  0.982004  0.109961  1
  H  H4  1  0.753819  0.920322  0.087596  1
  H  H5  1  1.087152  0.586989  0.087596  1
  H  H6  1  0.420486  0.253656  0.087596  1
  H  H7  1  0.785822  0.381988  0.087406  1
  H  H8  1  0.770128  0.648670  0.109961  1
  H  H9  1  1.103461  0.315337  0.109961  1
  H  H10  1  1.099191  0.821542  0.110550  1
  H  H11  1  0.432524  0.488209  0.110550  1
  H  H12  1  0.431131  0.740599  0.132618  1
  H  H13  1  0.770125  0.896773  0.132350  1
  H  H14  1  1.103458  0.563439  0.132350  1
  H  H15  1  0.436791  0.230106  0.132350  1
  H  H16  1  0.765858  1.154875  0.110550  1
  H  H17  1  0.764464  0.407266  0.132618  1
  H  H18  1  1.097798  1.073932  0.132618  1
  H  H19  1  1.102636  0.814149  0.154552  1
  H  H20  1  0.435969  0.480815  0.154552  1
  H  H21  1  0.436717  0.727197  0.176819  1
  H  H22  1  0.763776  0.657154  0.155073  1
  H  H23  1  1.097109  0.323821  0.155073  1
  H  H24  1  0.430443  0.990488  0.155073  1
  H  H25  1  0.769303  1.147482  0.154552  1
  H  H26  1  0.770051  0.393864  0.176819  1
  H  H27  1  1.103384  1.060531  0.176819  1
  H  H28  1  1.092987  0.578890  0.177521  1
  H  H29  1  0.426320  0.245557  0.177521  1
  H  H30  1  0.418850  0.502129  0.200182  1
  H  H31  1  0.768587  0.640889  0.198872  1
  H  H32  1  1.101920  0.307556  0.198872  1
  H  H33  1  0.435254  0.974223  0.198872  1
  H  H34  1  0.759653  0.912223  0.177521  1
  H  H35  1  0.752183  0.168796  0.200182  1
  H  H36  1  1.085517  0.835462  0.200182  1
  H  H37  1  1.096366  0.552545  0.220843  1
  H  H38  1  0.429699  0.219212  0.220843  1
  H  H39  1  0.413053  0.467981  0.242384  1
  H  H40  1  0.737432  0.432077  0.222792  1
  H  H41  1  1.070765  1.098744  0.222792  1
  H  H42  1  0.404099  0.765410  0.222792  1
  H  H43  1  0.763032  0.885879  0.220843  1
  H  H44  1  0.746387  1.134648  0.242384  1
  H  H45  1  1.079720  0.801315  0.242384  1
  H  H46  1  1.048228  0.369263  0.245812  1
  H  H47  1  0.381562  1.035930  0.245812  1
  H  H48  1  0.341832  0.327411  0.269499  1
  H  H49  1  0.712554  0.389853  0.263372  1
  H  H50  1  1.045888  1.056520  0.263372  1
  H  H51  1  0.379221  0.723187  0.263372  1
  H  H52  1  0.714895  0.702597  0.245812  1
  H  H53  1  0.675166  0.994078  0.269499  1
  H  H54  1  1.008499  0.660745  0.269499  1
  H  H55  1  0.995112  0.320340  0.283762  1
  H  H56  1  0.328446  0.987006  0.283762  1
  H  H57  1  0.273889  0.249464  0.303907  1
  H  H58  1  0.634501  0.284902  0.293834  1
  H  H59  1  0.967834  0.951569  0.293834  1
  H  H60  1  0.301167  0.618235  0.293834  1
  H  H61  1  0.661779  0.653673  0.283762  1
  H  H62  1  0.607222  0.916131  0.303907  1
  H  H63  1  0.940556  0.582798  0.303907  1
  H  H64  1  0.927169  0.242393  0.318170  1
  H  H65  1  0.260502  0.909059  0.318170  1
  H  H66  1  0.220773  0.200541  0.341857  1
  H  H67  1  0.556447  0.179951  0.324297  1
  H  H68  1  0.889780  0.846617  0.324297  1
  H  H69  1  0.223114  0.513284  0.324297  1
  H  H70  1  0.593836  0.575726  0.318170  1
  H  H71  1  0.554106  0.867207  0.341857  1
  H  H72  1  0.887440  0.533874  0.341857  1
  H  H73  1  0.855948  1.101823  0.345285  1
  H  H74  1  0.189282  0.768489  0.345285  1
  H  H75  1  1.172636  1.017259  0.366826  1
  H  H76  1  0.531569  1.137727  0.364877  1
  H  H77  1  0.864903  0.804394  0.364877  1
  H  H78  1  0.198236  0.471060  0.364877  1
  H  H79  1  0.522615  0.435156  0.345285  1
  H  H80  1  0.505969  0.683926  0.366826  1
  H  H81  1  0.839302  0.350592  0.366826  1
  H  H82  1  0.850152  1.067675  0.387487  1
  H  H83  1  0.183485  0.734342  0.387487  1
  H  H84  1  0.176015  0.990914  0.410148  1
  H  H85  1  0.500415  0.928915  0.388797  1
  H  H86  1  0.833748  0.595582  0.388797  1
  H  H87  1  1.167081  0.262248  0.388797  1
  H  H88  1  0.516818  0.401008  0.387487  1
  H  H89  1  0.509348  0.657581  0.410148  1
  H  H90  1  0.842682  0.324247  0.410148  1
  H  H91  1  0.832284  0.842607  0.410850  1
  H  H92  1  1.165617  0.509274  0.410850  1
  H  H93  1  1.166365  0.755655  0.433117  1
  H  H94  1  0.505225  0.912650  0.432596  1
  H  H95  1  0.838559  0.579316  0.432596  1
  H  H96  1  1.171892  0.245983  0.432596  1
  H  H97  1  0.498951  0.175940  0.410850  1
  H  H98  1  0.499699  0.422322  0.433117  1
  H  H99  1  0.833032  1.088989  0.433117  1
  H  H100  1  0.837870  0.829205  0.455051  1
  H  H101  1  1.171204  0.495872  0.455051  1
  H  H102  1  1.169810  0.748262  0.477119  1
  H  H103  1  0.498877  0.673031  0.455319  1
  H  H104  1  0.832210  0.339698  0.455319  1
  H  H105  1  1.165544  1.006365  0.455319  1
  H  H106  1  0.504537  0.162538  0.455051  1
  H  H107  1  0.503144  0.414929  0.477119  1
  H  H108  1  0.836477  1.081595  0.477119  1
  H  H109  1  0.832207  0.587800  0.477708  1
  H  H110  1  1.165540  0.254467  0.477708  1
  H  H111  1  1.149846  0.521149  0.500263  1
  H  H112  1  0.515182  0.649482  0.500073  1
  H  H113  1  0.848516  0.316148  0.500073  1
  H  H114  1  0.181849  0.982815  0.500073  1
  H  H115  1  0.498873  0.921134  0.477708  1
  H  H116  1  0.483180  0.187816  0.500263  1
  H  H117  1  0.816513  0.854483  0.500263  1
