# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.31669716
_cell_length_b   6.00021824
_cell_length_c   35.03591390
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.11291186
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2153.15909141
_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  -0.071129  0.964391  0.441264  1
  H  H2  1  0.331582  0.988824  0.452853  1
  H  H3  1  0.726175  1.000213  0.468054  1
  H  H4  1  0.664915  0.655491  0.452853  1
  H  H5  1  0.059508  0.666880  0.468054  1
  H  H6  1  -0.001751  0.322158  0.452853  1
  H  H7  1  0.262204  0.631058  0.441264  1
  H  H8  1  0.595538  0.297725  0.441264  1
  H  H9  1  0.392842  0.333547  0.468054  1
  H  H10  1  0.126297  1.011940  0.478777  1
  H  H11  1  0.522999  0.028720  0.491478  1
  H  H12  1  -0.077360  0.049243  0.505729  1
  H  H13  1  0.856332  0.695387  0.491478  1
  H  H14  1  0.255973  0.715909  0.505729  1
  H  H15  1  0.189666  0.362054  0.491478  1
  H  H16  1  0.459630  0.678607  0.478777  1
  H  H17  1  0.792964  0.345273  0.478777  1
  H  H18  1  0.589307  0.382576  0.505729  1
  H  H19  1  0.320188  0.067980  0.518027  1
  H  H20  1  0.718499  0.086899  0.531163  1
  H  H21  1  0.116749  0.104674  0.542950  1
  H  H22  1  0.051832  0.753566  0.531163  1
  H  H23  1  0.450082  0.771341  0.542950  1
  H  H24  1  0.385165  0.420233  0.531163  1
  H  H25  1  0.653521  0.734646  0.518027  1
  H  H26  1  -0.013145  0.401313  0.518027  1
  H  H27  1  0.783415  0.438008  0.542950  1
  H  H28  1  0.514791  0.123117  0.555564  1
  H  H29  1  -0.086889  0.143011  0.568952  1
  H  H30  1  0.311370  0.161973  0.581547  1
  H  H31  1  0.246444  0.809677  0.568952  1
  H  H32  1  0.644703  0.828640  0.581547  1
  H  H33  1  0.579777  0.476344  0.568952  1
  H  H34  1  0.848124  0.789784  0.555564  1
  H  H35  1  0.181458  0.456451  0.555564  1
  H  H36  1  -0.021963  0.495306  0.581547  1
  H  H37  1  0.709340  0.180623  0.594453  1
  H  H38  1  0.107687  0.198399  0.606837  1
  H  H39  1  0.505661  0.216853  0.619567  1
  H  H40  1  0.441021  0.865065  0.606837  1
  H  H41  1  0.838994  0.883520  0.619567  1
  H  H42  1  0.774354  0.531732  0.606837  1
  H  H43  1  0.042673  0.847290  0.594453  1
  H  H44  1  0.376006  0.513957  0.594453  1
  H  H45  1  0.172328  0.550187  0.619567  1
  H  H46  1  -0.095977  0.235955  0.632559  1
  H  H47  1  0.302210  0.254962  0.645340  1
  H  H48  1  0.700352  0.273490  0.658126  1
  H  H49  1  0.635543  0.921629  0.645340  1
  H  H50  1  0.033685  0.940157  0.658126  1
  H  H51  1  -0.031123  0.588296  0.645340  1
  H  H52  1  0.237357  0.902622  0.632559  1
  H  H53  1  0.570690  0.569288  0.632559  1
  H  H54  1  0.367019  0.606823  0.658126  1
  H  H55  1  0.098576  0.291677  0.670646  1
  H  H56  1  0.496719  0.310205  0.683432  1
  H  H57  1  -0.105095  0.329212  0.696213  1
  H  H58  1  0.830052  0.976872  0.683432  1
  H  H59  1  0.228239  0.995879  0.696213  1
  H  H60  1  0.163385  0.643538  0.683432  1
  H  H61  1  0.431910  0.958344  0.670646  1
  H  H62  1  0.765243  0.625010  0.670646  1
  H  H63  1  0.561572  0.662546  0.696213  1
  H  H64  1  0.293268  0.348314  0.709205  1
  H  H65  1  0.691241  0.366768  0.721935  1
  H  H66  1  0.089589  0.384544  0.734320  1
  H  H67  1  0.024575  0.033435  0.721935  1
  H  H68  1  0.422922  0.051211  0.734320  1
  H  H69  1  0.357908  0.700102  0.721935  1
  H  H70  1  0.626601  0.014981  0.709205  1
  H  H71  1  -0.040066  0.681647  0.709205  1
  H  H72  1  0.756256  0.717877  0.734320  1
  H  H73  1  0.487558  0.403194  0.747226  1
  H  H74  1  -0.114182  0.422157  0.759820  1
  H  H75  1  0.284138  0.442050  0.773209  1
  H  H76  1  0.219151  0.088823  0.759820  1
  H  H77  1  0.617471  0.108716  0.773209  1
  H  H78  1  0.552485  0.755490  0.759820  1
  H  H79  1  0.820892  0.069861  0.747226  1
  H  H80  1  0.154225  0.736528  0.747226  1
  H  H81  1  -0.049196  0.775383  0.773209  1
  H  H82  1  0.682180  0.460493  0.785823  1
  H  H83  1  0.080430  0.478268  0.797609  1
  H  H84  1  0.478741  0.497187  0.810745  1
  H  H85  1  0.413763  0.144935  0.797609  1
  H  H86  1  0.812074  0.163854  0.810745  1
  H  H87  1  0.747097  0.811601  0.797609  1
  H  H88  1  0.015513  0.127160  0.785823  1
  H  H89  1  0.348846  0.793826  0.785823  1
  H  H90  1  0.145407  0.830521  0.810745  1
  H  H91  1  -0.123711  0.515925  0.823043  1
  H  H92  1  0.275930  0.536447  0.837295  1
  H  H93  1  0.672631  0.553227  0.849995  1
  H  H94  1  0.609263  0.203114  0.837295  1
  H  H95  1  0.005965  0.219894  0.849995  1
  H  H96  1  -0.057404  0.869780  0.837295  1
  H  H97  1  0.209622  0.182591  0.823043  1
  H  H98  1  0.542955  0.849258  0.823043  1
  H  H99  1  0.339298  0.886560  0.849995  1
  H  H100  1  0.072754  0.564954  0.860719  1
  H  H101  1  0.467347  0.576343  0.875920  1
  H  H102  1  -0.129942  0.600776  0.887508  1
  H  H103  1  0.800680  0.243010  0.875920  1
  H  H104  1  0.203391  0.267443  0.887508  1
  H  H105  1  0.134013  0.909676  0.875920  1
  H  H106  1  0.406087  0.231620  0.860719  1
  H  H107  1  0.739420  0.898287  0.860719  1
  H  H108  1  0.536724  0.934109  0.887508  1
