# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.00388658
_cell_length_b   8.94987138
_cell_length_c   46.96496579
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.66261316
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H192
_cell_volume   3831.26404073
_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  0.217862  0.086160  0.278680  1
  H  H2  1  0.597752  0.110525  0.270110  1
  H  H3  1  0.832508  0.047477  0.288750  1
  H  H4  1  0.217862  0.586160  0.278680  1
  H  H5  1  0.597752  0.610525  0.270110  1
  H  H6  1  0.832508  0.547477  0.288750  1
  H  H7  1  0.994119  0.275294  0.297343  1
  H  H8  1  0.370045  0.302170  0.287504  1
  H  H9  1  0.753911  0.325833  0.278026  1
  H  H10  1  0.994119  0.775294  0.297343  1
  H  H11  1  0.370045  0.802170  0.287504  1
  H  H12  1  0.753911  0.825833  0.278026  1
  H  H13  1  0.062615  0.998424  0.306456  1
  H  H14  1  0.449273  0.019504  0.297826  1
  H  H15  1  0.668524  0.986282  0.318162  1
  H  H16  1  0.062615  0.498424  0.306456  1
  H  H17  1  0.449273  0.519504  0.297826  1
  H  H18  1  0.668524  0.486282  0.318162  1
  H  H19  1  0.836781  0.215530  0.326824  1
  H  H20  1  0.223843  0.235406  0.318353  1
  H  H21  1  0.608821  0.257644  0.309190  1
  H  H22  1  0.836781  0.715530  0.326824  1
  H  H23  1  0.223843  0.735406  0.318353  1
  H  H24  1  0.608821  0.757644  0.309190  1
  H  H25  1  0.892301  0.945566  0.336243  1
  H  H26  1  0.280759  0.965905  0.327211  1
  H  H27  1  0.501176  0.927803  0.346330  1
  H  H28  1  0.892301  0.445566  0.336243  1
  H  H29  1  0.280759  0.465905  0.327211  1
  H  H30  1  0.501176  0.427803  0.346330  1
  H  H31  1  0.672635  0.156710  0.355625  1
  H  H32  1  0.060231  0.175009  0.345430  1
  H  H33  1  0.448174  0.195646  0.336136  1
  H  H34  1  0.672635  0.656710  0.355625  1
  H  H35  1  0.060231  0.675009  0.345430  1
  H  H36  1  0.448174  0.695646  0.336136  1
  H  H37  1  0.724708  0.886765  0.364711  1
  H  H38  1  0.112590  0.907531  0.355287  1
  H  H39  1  0.335028  0.867219  0.374005  1
  H  H40  1  0.724708  0.386765  0.364711  1
  H  H41  1  0.112590  0.407531  0.355287  1
  H  H42  1  0.335028  0.367219  0.374005  1
  H  H43  1  0.506912  0.098270  0.383709  1
  H  H44  1  0.895697  0.117044  0.374197  1
  H  H45  1  0.283465  0.137231  0.365053  1
  H  H46  1  0.506912  0.598270  0.383709  1
  H  H47  1  0.895697  0.617044  0.374197  1
  H  H48  1  0.283465  0.637231  0.365053  1
  H  H49  1  0.556866  0.829058  0.392941  1
  H  H50  1  0.946448  0.847656  0.383226  1
  H  H51  1  0.167765  0.809553  0.402219  1
  H  H52  1  0.556866  0.329058  0.392941  1
  H  H53  1  0.946448  0.347656  0.383226  1
  H  H54  1  0.167765  0.309553  0.402219  1
  H  H55  1  0.340472  0.038859  0.411992  1
  H  H56  1  0.729582  0.058195  0.402597  1
  H  H57  1  0.118049  0.078361  0.393054  1
  H  H58  1  0.340472  0.538859  0.411992  1
  H  H59  1  0.729582  0.558195  0.402597  1
  H  H60  1  0.118049  0.578361  0.393054  1
  H  H61  1  0.389942  0.769973  0.420964  1
  H  H62  1  0.779217  0.789301  0.411526  1
  H  H63  1  1.001163  0.750380  0.430310  1
  H  H64  1  0.389942  0.269973  0.420964  1
  H  H65  1  0.779217  0.289301  0.411526  1
  H  H66  1  1.001163  0.250380  0.430310  1
  H  H67  1  0.173871  0.980166  0.440216  1
  H  H68  1  0.562839  0.999742  0.430829  1
  H  H69  1  0.951751  0.019138  0.421344  1
  H  H70  1  0.173871  0.480166  0.440216  1
  H  H71  1  0.562839  0.499742  0.430829  1
  H  H72  1  0.951751  0.519138  0.421344  1
  H  H73  1  0.223311  0.711264  0.449163  1
  H  H74  1  0.612281  0.730789  0.439774  1
  H  H75  1  0.834543  0.691490  0.458542  1
  H  H76  1  0.223311  0.211264  0.449163  1
  H  H77  1  0.612281  0.230789  0.439774  1
  H  H78  1  0.834543  0.191490  0.458542  1
  H  H79  1  0.007310  0.921120  0.468436  1
  H  H80  1  0.396169  0.940769  0.459042  1
  H  H81  1  0.785137  0.960247  0.449635  1
  H  H82  1  0.007310  0.421120  0.468436  1
  H  H83  1  0.396169  0.440769  0.459042  1
  H  H84  1  0.785137  0.460247  0.449635  1
  H  H85  1  0.056670  0.652401  0.477369  1
  H  H86  1  0.445534  0.672021  0.467973  1
  H  H87  1  0.667824  0.632723  0.486776  1
  H  H88  1  0.056670  0.152401  0.477369  1
  H  H89  1  0.445534  0.172021  0.467973  1
  H  H90  1  0.667824  0.132723  0.486776  1
  H  H91  1  0.840661  0.862238  0.496676  1
  H  H92  1  0.229482  0.881952  0.487272  1
  H  H93  1  0.618425  0.901493  0.477864  1
  H  H94  1  0.840661  0.362238  0.496676  1
  H  H95  1  0.229482  0.381952  0.487272  1
  H  H96  1  0.618425  0.401493  0.477864  1
  H  H97  1  0.890066  0.593465  0.505590  1
  H  H98  1  0.278886  0.613180  0.496186  1
  H  H99  1  0.501122  0.573925  0.514998  1
  H  H100  1  0.890066  0.093465  0.505590  1
  H  H101  1  0.278886  0.113180  0.496186  1
  H  H102  1  0.501122  0.073925  0.514998  1
  H  H103  1  0.674013  0.803396  0.524889  1
  H  H104  1  0.062878  0.823017  0.515493  1
  H  H105  1  0.451724  0.842695  0.506086  1
  H  H106  1  0.674013  0.303396  0.524889  1
  H  H107  1  0.062878  0.323017  0.515493  1
  H  H108  1  0.451724  0.342695  0.506086  1
  H  H109  1  0.723378  0.534649  0.533820  1
  H  H110  1  0.112238  0.554298  0.524427  1
  H  H111  1  0.334410  0.515171  0.543228  1
  H  H112  1  0.723378  0.034649  0.533820  1
  H  H113  1  0.112238  0.054298  0.524427  1
  H  H114  1  0.334410  0.015171  0.543228  1
  H  H115  1  0.507267  0.744628  0.553089  1
  H  H116  1  0.896237  0.764154  0.543700  1
  H  H117  1  0.285004  0.783927  0.534320  1
  H  H118  1  0.507267  0.244628  0.553089  1
  H  H119  1  0.896237  0.264154  0.543700  1
  H  H120  1  0.285004  0.283927  0.534320  1
  H  H121  1  0.556708  0.475676  0.562034  1
  H  H122  1  0.945676  0.495252  0.552647  1
  H  H123  1  0.167797  0.456280  0.571518  1
  H  H124  1  0.556708  0.975676  0.562034  1
  H  H125  1  0.945676  0.995252  0.552647  1
  H  H126  1  0.167797  0.956280  0.571518  1
  H  H127  1  0.340331  0.686117  0.581336  1
  H  H128  1  0.729606  0.705445  0.571898  1
  H  H129  1  0.118384  0.725037  0.562552  1
  H  H130  1  0.340331  0.186117  0.581336  1
  H  H131  1  0.729606  0.205445  0.571898  1
  H  H132  1  0.118384  0.225037  0.562552  1
  H  H133  1  0.389965  0.417222  0.590265  1
  H  H134  1  0.779075  0.436559  0.580871  1
  H  H135  1  1.001499  0.397057  0.599808  1
  H  H136  1  0.389965  0.917222  0.590265  1
  H  H137  1  0.779075  0.936559  0.580871  1
  H  H138  1  1.001499  0.897057  0.599808  1
  H  H139  1  0.173099  0.627761  0.609637  1
  H  H140  1  0.562681  0.646360  0.599922  1
  H  H141  1  0.951783  0.665864  0.590644  1
  H  H142  1  0.173099  0.127761  0.609637  1
  H  H143  1  0.562681  0.146360  0.599922  1
  H  H144  1  0.951783  0.165864  0.590644  1
  H  H145  1  0.223851  0.358374  0.618666  1
  H  H146  1  0.612636  0.377147  0.609154  1
  H  H147  1  0.836083  0.338187  0.627810  1
  H  H148  1  0.223851  0.858374  0.618666  1
  H  H149  1  0.612636  0.877147  0.609154  1
  H  H150  1  0.836083  0.838187  0.627810  1
  H  H151  1  0.006957  0.567887  0.637576  1
  H  H152  1  0.394839  0.588653  0.628152  1
  H  H153  1  0.784519  0.608199  0.618858  1
  H  H154  1  0.006957  0.067887  0.637576  1
  H  H155  1  0.394839  0.088653  0.628152  1
  H  H156  1  0.784519  0.108199  0.618858  1
  H  H157  1  0.059316  0.300409  0.647432  1
  H  H158  1  0.446912  0.318708  0.637238  1
  H  H159  1  0.671373  0.279772  0.656726  1
  H  H160  1  0.059316  0.800409  0.647432  1
  H  H161  1  0.446912  0.818708  0.637238  1
  H  H162  1  0.671373  0.779772  0.656726  1
  H  H163  1  0.838788  0.509512  0.665651  1
  H  H164  1  0.227246  0.529852  0.656620  1
  H  H165  1  0.618371  0.547615  0.646533  1
  H  H166  1  0.838788  0.009512  0.665651  1
  H  H167  1  0.227246  0.029852  0.656620  1
  H  H168  1  0.618371  0.047615  0.646533  1
  H  H169  1  0.895705  0.240011  0.674510  1
  H  H170  1  0.282766  0.259888  0.666038  1
  H  H171  1  0.510727  0.217774  0.683673  1
  H  H172  1  0.895705  0.740011  0.674510  1
  H  H173  1  0.282766  0.759888  0.666038  1
  H  H174  1  0.510727  0.717774  0.683673  1
  H  H175  1  0.670274  0.455913  0.695037  1
  H  H176  1  0.056933  0.476994  0.686407  1
  H  H177  1  0.451023  0.489135  0.674701  1
  H  H178  1  0.670274  0.955913  0.695037  1
  H  H179  1  0.056933  0.976994  0.686407  1
  H  H180  1  0.451023  0.989135  0.674701  1
  H  H181  1  0.749503  0.173248  0.705358  1
  H  H182  1  0.125429  0.200124  0.695520  1
  H  H183  1  0.365637  0.149585  0.714837  1
  H  H184  1  0.749503  0.673248  0.705358  1
  H  H185  1  0.125429  0.700124  0.695520  1
  H  H186  1  0.365637  0.649585  0.714837  1
  H  H187  1  0.521796  0.364892  0.722753  1
  H  H188  1  0.901686  0.389258  0.714183  1
  H  H189  1  0.287039  0.427941  0.704113  1
  H  H190  1  0.521796  0.864892  0.722753  1
  H  H191  1  0.901686  0.889258  0.714183  1
  H  H192  1  0.287039  0.927941  0.704113  1
