# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.34141295
_cell_length_b   6.26114427
_cell_length_c   47.54298560
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.71024906
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H168
_cell_volume   4417.04519876
_cell_formula_units_Z   84
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  0.708340  0.960548  0.311126  1
  H  H2  1  0.388957  0.761829  0.331959  1
  H  H3  1  0.027723  0.159267  0.290293  1
  H  H4  1  0.714347  0.518510  0.320096  1
  H  H5  1  0.394964  0.319791  0.340930  1
  H  H6  1  0.033730  0.717229  0.299263  1
  H  H7  1  0.704172  0.519918  0.304902  1
  H  H8  1  0.384789  0.321199  0.325735  1
  H  H9  1  0.023555  0.718637  0.284068  1
  H  H10  1  0.710179  0.077880  0.313872  1
  H  H11  1  0.390796  0.879161  0.334705  1
  H  H12  1  0.029562  0.276599  0.293039  1
  H  H13  1  0.888957  0.761829  0.331959  1
  H  H14  1  0.527723  0.159267  0.290293  1
  H  H15  1  0.208340  0.960548  0.311126  1
  H  H16  1  0.894964  0.319791  0.340930  1
  H  H17  1  0.533730  0.717229  0.299263  1
  H  H18  1  0.214347  0.518510  0.320096  1
  H  H19  1  0.884789  0.321199  0.325735  1
  H  H20  1  0.523555  0.718637  0.284068  1
  H  H21  1  0.204172  0.519918  0.304902  1
  H  H22  1  0.890796  0.879161  0.334705  1
  H  H23  1  0.529562  0.276599  0.293039  1
  H  H24  1  0.210179  0.077880  0.313872  1
  H  H25  1  0.750192  0.364391  0.373626  1
  H  H26  1  0.430809  0.165672  0.394459  1
  H  H27  1  0.069575  0.563110  0.352793  1
  H  H28  1  0.756199  0.922353  0.382596  1
  H  H29  1  0.436816  0.723634  0.403430  1
  H  H30  1  0.075581  0.121072  0.361763  1
  H  H31  1  0.746024  0.923761  0.367402  1
  H  H32  1  0.426641  0.725042  0.388235  1
  H  H33  1  0.065407  0.122480  0.346568  1
  H  H34  1  0.752031  0.481723  0.376372  1
  H  H35  1  0.432648  0.283004  0.397205  1
  H  H36  1  0.071414  0.680442  0.355539  1
  H  H37  1  0.930809  0.165672  0.394459  1
  H  H38  1  0.569575  0.563110  0.352793  1
  H  H39  1  0.250192  0.364391  0.373626  1
  H  H40  1  0.936816  0.723634  0.403430  1
  H  H41  1  0.575581  0.121072  0.361763  1
  H  H42  1  0.256199  0.922353  0.382596  1
  H  H43  1  0.926641  0.725042  0.388235  1
  H  H44  1  0.565407  0.122480  0.346568  1
  H  H45  1  0.246024  0.923761  0.367402  1
  H  H46  1  0.932648  0.283004  0.397205  1
  H  H47  1  0.571414  0.680442  0.355539  1
  H  H48  1  0.252031  0.481723  0.376372  1
  H  H49  1  0.792044  0.768234  0.436126  1
  H  H50  1  0.472661  0.569515  0.456959  1
  H  H51  1  0.111427  0.966953  0.415293  1
  H  H52  1  0.798051  0.326196  0.445096  1
  H  H53  1  0.478668  0.127477  0.465930  1
  H  H54  1  0.117433  0.524915  0.424263  1
  H  H55  1  0.787876  0.327604  0.429902  1
  H  H56  1  0.468493  0.128885  0.450735  1
  H  H57  1  0.107259  0.526323  0.409068  1
  H  H58  1  0.793883  0.885566  0.438872  1
  H  H59  1  0.474500  0.686847  0.459705  1
  H  H60  1  0.113265  0.084285  0.418039  1
  H  H61  1  0.972661  0.569515  0.456959  1
  H  H62  1  0.611427  0.966953  0.415293  1
  H  H63  1  0.292044  0.768234  0.436126  1
  H  H64  1  0.978668  0.127477  0.465930  1
  H  H65  1  0.617433  0.524915  0.424263  1
  H  H66  1  0.298051  0.326196  0.445096  1
  H  H67  1  0.968493  0.128885  0.450735  1
  H  H68  1  0.607259  0.526323  0.409068  1
  H  H69  1  0.287876  0.327604  0.429902  1
  H  H70  1  0.974500  0.686847  0.459705  1
  H  H71  1  0.613265  0.084285  0.418039  1
  H  H72  1  0.293883  0.885566  0.438872  1
  H  H73  1  0.833896  0.172077  0.498626  1
  H  H74  1  0.514513  0.973358  0.519459  1
  H  H75  1  0.153279  0.370796  0.477793  1
  H  H76  1  0.839903  0.730039  0.507596  1
  H  H77  1  0.520520  0.531320  0.528430  1
  H  H78  1  0.159285  0.928758  0.486763  1
  H  H79  1  0.829728  0.731447  0.492402  1
  H  H80  1  0.510345  0.532728  0.513235  1
  H  H81  1  0.149111  0.930166  0.471568  1
  H  H82  1  0.835735  0.289409  0.501372  1
  H  H83  1  0.516352  0.090690  0.522205  1
  H  H84  1  0.155117  0.488128  0.480539  1
  H  H85  1  0.014513  0.973358  0.519459  1
  H  H86  1  0.653279  0.370796  0.477793  1
  H  H87  1  0.333896  0.172077  0.498626  1
  H  H88  1  0.020520  0.531320  0.528430  1
  H  H89  1  0.659285  0.928758  0.486763  1
  H  H90  1  0.339903  0.730039  0.507596  1
  H  H91  1  0.010345  0.532728  0.513235  1
  H  H92  1  0.649111  0.930166  0.471568  1
  H  H93  1  0.329728  0.731447  0.492402  1
  H  H94  1  0.016352  0.090690  0.522205  1
  H  H95  1  0.655117  0.488128  0.480539  1
  H  H96  1  0.335735  0.289409  0.501372  1
  H  H97  1  0.875748  0.575920  0.561126  1
  H  H98  1  0.556365  0.377201  0.581959  1
  H  H99  1  0.195131  0.774639  0.540293  1
  H  H100  1  0.881755  0.133882  0.570096  1
  H  H101  1  0.562372  0.935163  0.590930  1
  H  H102  1  0.201137  0.332601  0.549263  1
  H  H103  1  0.871580  0.135290  0.554902  1
  H  H104  1  0.552197  0.936571  0.575735  1
  H  H105  1  0.190963  0.334009  0.534068  1
  H  H106  1  0.877587  0.693252  0.563872  1
  H  H107  1  0.558204  0.494533  0.584705  1
  H  H108  1  0.196969  0.891971  0.543039  1
  H  H109  1  0.056365  0.377201  0.581959  1
  H  H110  1  0.695131  0.774639  0.540293  1
  H  H111  1  0.375748  0.575920  0.561126  1
  H  H112  1  0.062372  0.935163  0.590930  1
  H  H113  1  0.701137  0.332601  0.549263  1
  H  H114  1  0.381755  0.133882  0.570096  1
  H  H115  1  0.052197  0.936571  0.575735  1
  H  H116  1  0.690963  0.334009  0.534068  1
  H  H117  1  0.371580  0.135290  0.554902  1
  H  H118  1  0.058204  0.494533  0.584705  1
  H  H119  1  0.696969  0.891971  0.543039  1
  H  H120  1  0.377587  0.693252  0.563872  1
  H  H121  1  0.917600  0.979763  0.623626  1
  H  H122  1  0.598217  0.781044  0.644459  1
  H  H123  1  0.236982  0.178482  0.602793  1
  H  H124  1  0.923607  0.537725  0.632596  1
  H  H125  1  0.604224  0.339006  0.653430  1
  H  H126  1  0.242989  0.736444  0.611763  1
  H  H127  1  0.913432  0.539133  0.617402  1
  H  H128  1  0.594049  0.340414  0.638235  1
  H  H129  1  0.232815  0.737852  0.596568  1
  H  H130  1  0.919439  0.097095  0.626372  1
  H  H131  1  0.600056  0.898376  0.647205  1
  H  H132  1  0.238821  0.295814  0.605539  1
  H  H133  1  0.098217  0.781044  0.644459  1
  H  H134  1  0.736982  0.178482  0.602793  1
  H  H135  1  0.417600  0.979763  0.623626  1
  H  H136  1  0.104224  0.339006  0.653430  1
  H  H137  1  0.742989  0.736444  0.611763  1
  H  H138  1  0.423607  0.537725  0.632596  1
  H  H139  1  0.094049  0.340414  0.638235  1
  H  H140  1  0.732815  0.737852  0.596568  1
  H  H141  1  0.413432  0.539133  0.617402  1
  H  H142  1  0.100056  0.898376  0.647205  1
  H  H143  1  0.738821  0.295814  0.605539  1
  H  H144  1  0.419439  0.097095  0.626372  1
  H  H145  1  0.959452  0.383606  0.686126  1
  H  H146  1  0.640069  0.184887  0.706959  1
  H  H147  1  0.278834  0.582325  0.665293  1
  H  H148  1  0.965459  0.941568  0.695096  1
  H  H149  1  0.646076  0.742849  0.715930  1
  H  H150  1  0.284841  0.140287  0.674263  1
  H  H151  1  0.955284  0.942976  0.679902  1
  H  H152  1  0.635901  0.744257  0.700735  1
  H  H153  1  0.274666  0.141695  0.659068  1
  H  H154  1  0.961291  0.500938  0.688872  1
  H  H155  1  0.641908  0.302219  0.709705  1
  H  H156  1  0.280673  0.699657  0.668039  1
  H  H157  1  0.140069  0.184887  0.706959  1
  H  H158  1  0.778834  0.582325  0.665293  1
  H  H159  1  0.459452  0.383606  0.686126  1
  H  H160  1  0.146076  0.742849  0.715930  1
  H  H161  1  0.784841  0.140287  0.674263  1
  H  H162  1  0.465459  0.941568  0.695096  1
  H  H163  1  0.135901  0.744257  0.700735  1
  H  H164  1  0.774666  0.141695  0.659068  1
  H  H165  1  0.455284  0.942976  0.679902  1
  H  H166  1  0.141908  0.302219  0.709705  1
  H  H167  1  0.780673  0.699657  0.668039  1
  H  H168  1  0.461291  0.500938  0.688872  1
