# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04954740
_cell_length_b   15.58410604
_cell_length_c   52.03530753
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.63003270
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H192
_cell_volume   3999.73595945
_cell_formula_units_Z   96
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  0.603063  0.170336  0.237442  1
  H  H2  1  0.734542  0.671035  0.246073  1
  H  H3  1  0.762820  0.292211  0.249766  1
  H  H4  1  0.617854  0.794329  0.220947  1
  H  H5  1  0.422764  0.416995  0.255067  1
  H  H6  1  0.281585  0.919976  0.231370  1
  H  H7  1  0.578766  0.543796  0.249583  1
  H  H8  1  0.444764  0.043165  0.242313  1
  H  H9  1  1.103063  0.170336  0.237442  1
  H  H10  1  0.234542  0.671035  0.246073  1
  H  H11  1  0.262820  0.292211  0.249766  1
  H  H12  1  1.117854  0.794329  0.220947  1
  H  H13  1  0.922764  0.416995  0.255067  1
  H  H14  1  0.781585  0.919976  0.231370  1
  H  H15  1  1.078766  0.543796  0.249583  1
  H  H16  1  0.944764  0.043165  0.242313  1
  H  H17  1  0.361364  0.160229  0.275078  1
  H  H18  1  0.492243  0.657826  0.283343  1
  H  H19  1  0.520827  0.281436  0.286828  1
  H  H20  1  0.382943  0.792730  0.259138  1
  H  H21  1  1.181176  0.404956  0.292008  1
  H  H22  1  1.042547  0.913696  0.268993  1
  H  H23  1  0.336281  0.531737  0.287020  1
  H  H24  1  1.203423  0.034590  0.279529  1
  H  H25  1  0.861364  0.160229  0.275078  1
  H  H26  1  0.992243  0.657826  0.283343  1
  H  H27  1  1.020827  0.281436  0.286828  1
  H  H28  1  0.882943  0.792730  0.259138  1
  H  H29  1  0.681176  0.404956  0.292008  1
  H  H30  1  0.542547  0.913696  0.268993  1
  H  H31  1  0.836281  0.531737  0.287020  1
  H  H32  1  0.703423  0.034590  0.279529  1
  H  H33  1  1.120846  0.147764  0.312022  1
  H  H34  1  0.251216  0.644392  0.320361  1
  H  H35  1  0.280294  0.268663  0.323472  1
  H  H36  1  1.147039  0.778350  0.295513  1
  H  H37  1  0.940467  0.391871  0.328700  1
  H  H38  1  0.805376  0.899843  0.305606  1
  H  H39  1  1.095648  0.518205  0.323891  1
  H  H40  1  0.964780  0.021159  0.316273  1
  H  H41  1  0.620846  0.147764  0.312022  1
  H  H42  1  0.751216  0.644392  0.320361  1
  H  H43  1  0.780294  0.268663  0.323472  1
  H  H44  1  0.647039  0.778350  0.295513  1
  H  H45  1  0.440467  0.391871  0.328700  1
  H  H46  1  0.305376  0.899843  0.305606  1
  H  H47  1  0.595648  0.518205  0.323891  1
  H  H48  1  0.464780  0.021159  0.316273  1
  H  H49  1  0.880919  0.134832  0.348950  1
  H  H50  1  1.010638  0.631645  0.357373  1
  H  H51  1  1.039949  0.255941  0.360195  1
  H  H52  1  0.908106  0.765370  0.332129  1
  H  H53  1  0.699843  0.379177  0.365521  1
  H  H54  1  0.566484  0.886933  0.342423  1
  H  H55  1  0.854989  0.505475  0.360811  1
  H  H56  1  0.725375  0.008298  0.353158  1
  H  H57  1  0.380919  0.134832  0.348950  1
  H  H58  1  0.510638  0.631645  0.357373  1
  H  H59  1  0.539949  0.255941  0.360195  1
  H  H60  1  0.408106  0.765370  0.332129  1
  H  H61  1  1.199843  0.379177  0.365521  1
  H  H62  1  1.066484  0.886933  0.342423  1
  H  H63  1  0.354989  0.505475  0.360811  1
  H  H64  1  1.225375  0.008298  0.353158  1
  H  H65  1  0.640819  0.122177  0.385858  1
  H  H66  1  0.770201  0.619101  0.394340  1
  H  H67  1  0.799622  0.243430  0.396904  1
  H  H68  1  0.668259  0.752799  0.368871  1
  H  H69  1  0.459365  0.366635  0.402370  1
  H  H70  1  0.326799  0.874301  0.379305  1
  H  H71  1  0.614508  0.492912  0.397698  1
  H  H72  1  0.485529  -0.004337  0.390074  1
  H  H73  1  1.140819  0.122177  0.385858  1
  H  H74  1  0.270201  0.619101  0.394340  1
  H  H75  1  0.299622  0.243430  0.396904  1
  H  H76  1  1.168259  0.752799  0.368871  1
  H  H77  1  0.959365  0.366635  0.402370  1
  H  H78  1  0.826799  0.874301  0.379305  1
  H  H79  1  1.114508  0.492912  0.397698  1
  H  H80  1  0.985529  -0.004337  0.390074  1
  H  H81  1  0.400580  0.109672  0.422746  1
  H  H82  1  0.529811  0.606691  0.431270  1
  H  H83  1  0.559301  0.231062  0.433584  1
  H  H84  1  0.428097  0.740345  0.405671  1
  H  H85  1  1.218963  0.354230  0.439229  1
  H  H86  1  1.086714  0.861795  0.416223  1
  H  H87  1  0.374100  0.480502  0.434555  1
  H  H88  1  0.245406  -0.016839  0.427009  1
  H  H89  1  0.900580  0.109672  0.422746  1
  H  H90  1  1.029811  0.606691  0.431270  1
  H  H91  1  1.059301  0.231062  0.433584  1
  H  H92  1  0.928097  0.740345  0.405671  1
  H  H93  1  0.718963  0.354230  0.439229  1
  H  H94  1  0.586714  0.861795  0.416223  1
  H  H95  1  0.874100  0.480502  0.434555  1
  H  H96  1  0.745406  -0.016839  0.427009  1
  H  H97  1  1.160209  0.097304  0.459625  1
  H  H98  1  0.289421  0.594434  0.468177  1
  H  H99  1  0.318961  0.218844  0.470229  1
  H  H100  1  1.187734  0.728002  0.442514  1
  H  H101  1  0.978602  0.341966  0.476096  1
  H  H102  1  0.846346  0.849415  0.453180  1
  H  H103  1  1.133733  0.468247  0.471387  1
  H  H104  1  1.005055  -0.029207  0.463966  1
  H  H105  1  0.660209  0.097304  0.459625  1
  H  H106  1  0.789421  0.594434  0.468177  1
  H  H107  1  0.818961  0.218844  0.470229  1
  H  H108  1  0.687734  0.728002  0.442514  1
  H  H109  1  0.478602  0.341966  0.476096  1
  H  H110  1  0.346346  0.849415  0.453180  1
  H  H111  1  0.633733  0.468247  0.471387  1
  H  H112  1  0.505055  -0.029207  0.463966  1
  H  H113  1  0.919692  0.085091  0.496503  1
  H  H114  1  1.049079  0.582340  0.505068  1
  H  H115  1  1.078592  0.206794  0.506836  1
  H  H116  1  0.947165  0.715800  0.479398  1
  H  H117  1  0.738286  0.329855  0.512974  1
  H  H118  1  0.605696  0.837181  0.490182  1
  H  H119  1  0.893471  0.456157  0.508193  1
  H  H120  1  0.764465  0.958583  0.500950  1
  H  H121  1  0.419692  0.085091  0.496503  1
  H  H122  1  0.549079  0.582340  0.505068  1
  H  H123  1  0.578592  0.206794  0.506836  1
  H  H124  1  0.447165  0.715800  0.479398  1
  H  H125  1  0.238286  0.329855  0.512974  1
  H  H126  1  1.105696  0.837181  0.490182  1
  H  H127  1  0.393471  0.456157  0.508193  1
  H  H128  1  0.264465  0.958583  0.500950  1
  H  H129  1  0.678988  0.073051  0.533383  1
  H  H130  1  0.808996  0.570446  0.541945  1
  H  H131  1  0.838162  0.194958  0.543402  1
  H  H132  1  0.706314  0.703753  0.516323  1
  H  H133  1  0.498046  0.317932  0.549875  1
  H  H134  1  0.364674  0.825096  0.527240  1
  H  H135  1  0.653506  0.444251  0.544966  1
  H  H136  1  0.523583  0.946519  0.537960  1
  H  H137  1  1.178988  0.073051  0.533383  1
  H  H138  1  0.308996  0.570446  0.541945  1
  H  H139  1  0.338162  0.194958  0.543402  1
  H  H140  1  1.206314  0.703753  0.516323  1
  H  H141  1  0.998046  0.317932  0.549875  1
  H  H142  1  0.864674  0.825096  0.527240  1
  H  H143  1  1.153506  0.444251  0.544966  1
  H  H144  1  1.023583  0.946519  0.537960  1
  H  H145  1  0.438085  0.061161  0.570253  1
  H  H146  1  0.570106  0.558528  0.578771  1
  H  H147  1  0.597726  0.183229  0.579906  1
  H  H148  1  0.464967  0.691886  0.553288  1
  H  H149  1  0.257816  0.306344  0.586810  1
  H  H150  1  1.123020  0.813213  0.564358  1
  H  H151  1  0.414317  0.432486  0.581685  1
  H  H152  1  0.282096  0.934790  0.574994  1
  H  H153  1  0.938085  0.061161  0.570253  1
  H  H154  1  1.070106  0.558528  0.578771  1
  H  H155  1  1.097726  0.183229  0.579906  1
  H  H156  1  0.964967  0.691886  0.553288  1
  H  H157  1  0.757816  0.306344  0.586810  1
  H  H158  1  0.623020  0.813213  0.564358  1
  H  H159  1  0.914317  0.432486  0.581685  1
  H  H160  1  0.782096  0.934790  0.574994  1
  H  H161  1  1.196224  0.050593  0.607065  1
  H  H162  1  0.335320  0.546500  0.615529  1
  H  H163  1  0.355793  0.173564  0.616453  1
  H  H164  1  1.222619  0.679899  0.590195  1
  H  H165  1  1.016268  0.296995  0.623661  1
  H  H166  1  0.879742  0.802149  0.601456  1
  H  H167  1  1.176104  0.421761  0.618269  1
  H  H168  1  1.039218  0.924382  0.611953  1
  H  H169  1  0.696224  0.050593  0.607065  1
  H  H170  1  0.835320  0.546500  0.615529  1
  H  H171  1  0.855793  0.173564  0.616453  1
  H  H172  1  0.722619  0.679899  0.590195  1
  H  H173  1  0.516268  0.296995  0.623661  1
  H  H174  1  0.379742  0.802149  0.601456  1
  H  H175  1  0.676104  0.421761  0.618269  1
  H  H176  1  0.539218  0.924382  0.611953  1
  H  H177  1  0.951036  0.044870  0.644244  1
  H  H178  1  1.100426  0.554298  0.653523  1
  H  H179  1  1.109930  0.170170  0.653830  1
  H  H180  1  0.977487  0.670984  0.627076  1
  H  H181  1  0.768420  0.297781  0.660869  1
  H  H182  1  0.637113  0.791738  0.639194  1
  H  H183  1  0.930390  0.425297  0.654909  1
  H  H184  1  0.794458  0.916982  0.649337  1
  H  H185  1  0.451036  0.044870  0.644244  1
  H  H186  1  0.600426  0.554298  0.653523  1
  H  H187  1  0.609930  0.170170  0.653830  1
  H  H188  1  0.477487  0.670984  0.627076  1
  H  H189  1  0.268420  0.297781  0.660869  1
  H  H190  1  1.137113  0.791738  0.639194  1
  H  H191  1  0.430390  0.425297  0.654909  1
  H  H192  1  0.294458  0.916982  0.649337  1
