# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91607203
_cell_length_b   12.51941007
_cell_length_c   49.68055185
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.29253970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H168
_cell_volume   4140.96093659
_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  0.664262  0.797718  0.279503  1
  H  H2  1  0.514350  0.103619  0.301725  1
  H  H3  1  0.364438  0.409521  0.323947  1
  H  H4  1  0.992834  0.647524  0.304914  1
  H  H5  1  0.842922  0.953425  0.327137  1
  H  H6  1  0.142746  0.341623  0.282692  1
  H  H7  1  0.809639  0.917716  0.317308  1
  H  H8  1  0.109462  0.305913  0.272863  1
  H  H9  1  0.959550  0.611815  0.295086  1
  H  H10  1  0.587946  0.849818  0.276053  1
  H  H11  1  0.438034  0.155720  0.298275  1
  H  H12  1  0.288122  0.461621  0.320497  1
  H  H13  1  0.164262  0.797718  0.279503  1
  H  H14  1  0.014350  0.103619  0.301725  1
  H  H15  1  0.864438  0.409521  0.323947  1
  H  H16  1  0.492834  0.647524  0.304914  1
  H  H17  1  0.342922  0.953425  0.327137  1
  H  H18  1  0.642746  0.341623  0.282692  1
  H  H19  1  0.309639  0.917716  0.317308  1
  H  H20  1  0.609462  0.305913  0.272863  1
  H  H21  1  0.459550  0.611815  0.295086  1
  H  H22  1  0.087946  0.849818  0.276053  1
  H  H23  1  0.938034  0.155720  0.298275  1
  H  H24  1  0.788122  0.461621  0.320497  1
  H  H25  1  0.214527  0.715422  0.346169  1
  H  H26  1  0.064615  0.021323  0.368392  1
  H  H27  1  0.914703  0.327225  0.390614  1
  H  H28  1  0.543099  0.565228  0.371581  1
  H  H29  1  0.393187  0.871130  0.393803  1
  H  H30  1  0.693010  0.259327  0.349359  1
  H  H31  1  0.359904  0.835421  0.383975  1
  H  H32  1  0.659727  0.223618  0.339530  1
  H  H33  1  0.509815  0.529519  0.361752  1
  H  H34  1  0.138211  0.767523  0.342720  1
  H  H35  1  0.988299  0.073424  0.364942  1
  H  H36  1  0.838387  0.379325  0.387164  1
  H  H37  1  0.714527  0.715422  0.346169  1
  H  H38  1  0.564615  0.021323  0.368392  1
  H  H39  1  0.414703  0.327225  0.390614  1
  H  H40  1  0.043099  0.565228  0.371581  1
  H  H41  1  0.893187  0.871130  0.393803  1
  H  H42  1  0.193010  0.259327  0.349359  1
  H  H43  1  0.859904  0.835421  0.383975  1
  H  H44  1  0.159727  0.223618  0.339530  1
  H  H45  1  0.009815  0.529519  0.361752  1
  H  H46  1  0.638211  0.767523  0.342720  1
  H  H47  1  0.488299  0.073424  0.364942  1
  H  H48  1  0.338387  0.379325  0.387164  1
  H  H49  1  0.764792  0.633126  0.412836  1
  H  H50  1  0.614880  0.939028  0.435058  1
  H  H51  1  0.464968  0.244929  0.457280  1
  H  H52  1  0.093364  0.482933  0.438248  1
  H  H53  1  0.943452  0.788834  0.460470  1
  H  H54  1  0.243275  0.177031  0.416025  1
  H  H55  1  0.910169  0.753125  0.450641  1
  H  H56  1  0.209992  0.141322  0.406197  1
  H  H57  1  0.060080  0.447223  0.428419  1
  H  H58  1  0.688476  0.685227  0.409386  1
  H  H59  1  0.538564  0.991128  0.431608  1
  H  H60  1  0.388652  0.297030  0.453831  1
  H  H61  1  0.264792  0.633126  0.412836  1
  H  H62  1  0.114880  0.939028  0.435058  1
  H  H63  1  0.964968  0.244929  0.457280  1
  H  H64  1  0.593364  0.482933  0.438248  1
  H  H65  1  0.443452  0.788834  0.460470  1
  H  H66  1  0.743275  0.177031  0.416025  1
  H  H67  1  0.410169  0.753125  0.450641  1
  H  H68  1  0.709992  0.141322  0.406197  1
  H  H69  1  0.560080  0.447223  0.428419  1
  H  H70  1  0.188476  0.685227  0.409386  1
  H  H71  1  0.038564  0.991128  0.431608  1
  H  H72  1  0.888652  0.297030  0.453831  1
  H  H73  1  0.315057  0.550831  0.479503  1
  H  H74  1  0.165145  0.856732  0.501725  1
  H  H75  1  0.015233  0.162633  0.523947  1
  H  H76  1  0.643629  0.400637  0.504914  1
  H  H77  1  0.493717  0.706538  0.527137  1
  H  H78  1  0.793540  0.094735  0.482692  1
  H  H79  1  0.460434  0.670829  0.517308  1
  H  H80  1  0.760257  0.059026  0.472863  1
  H  H81  1  0.610345  0.364928  0.495086  1
  H  H82  1  0.238741  0.602931  0.476053  1
  H  H83  1  0.088829  0.908833  0.498275  1
  H  H84  1  0.938917  0.214734  0.520497  1
  H  H85  1  0.815057  0.550831  0.479503  1
  H  H86  1  0.665145  0.856732  0.501725  1
  H  H87  1  0.515233  0.162633  0.523947  1
  H  H88  1  0.143629  0.400637  0.504914  1
  H  H89  1  0.993717  0.706538  0.527137  1
  H  H90  1  0.293540  0.094735  0.482692  1
  H  H91  1  0.960434  0.670829  0.517308  1
  H  H92  1  0.260257  0.059026  0.472863  1
  H  H93  1  0.110345  0.364928  0.495086  1
  H  H94  1  0.738741  0.602931  0.476053  1
  H  H95  1  0.588829  0.908833  0.498275  1
  H  H96  1  0.438917  0.214734  0.520497  1
  H  H97  1  0.865322  0.468535  0.546169  1
  H  H98  1  0.715410  0.774436  0.568392  1
  H  H99  1  0.565498  0.080338  0.590614  1
  H  H100  1  0.193894  0.318341  0.571581  1
  H  H101  1  0.043982  0.624243  0.593803  1
  H  H102  1  0.343805  0.012440  0.549359  1
  H  H103  1  0.010698  0.588533  0.583975  1
  H  H104  1  0.310522  0.976731  0.539530  1
  H  H105  1  0.160610  0.282632  0.561752  1
  H  H106  1  0.789006  0.520635  0.542720  1
  H  H107  1  0.639094  0.826537  0.564942  1
  H  H108  1  0.489182  0.132438  0.587164  1
  H  H109  1  0.365322  0.468535  0.546169  1
  H  H110  1  0.215410  0.774436  0.568392  1
  H  H111  1  0.065498  0.080338  0.590614  1
  H  H112  1  0.693894  0.318341  0.571581  1
  H  H113  1  0.543982  0.624243  0.593803  1
  H  H114  1  0.843805  0.012440  0.549359  1
  H  H115  1  0.510698  0.588533  0.583975  1
  H  H116  1  0.810522  0.976731  0.539530  1
  H  H117  1  0.660610  0.282632  0.561752  1
  H  H118  1  0.289006  0.520635  0.542720  1
  H  H119  1  0.139094  0.826537  0.564942  1
  H  H120  1  0.989182  0.132438  0.587164  1
  H  H121  1  0.415586  0.386239  0.612836  1
  H  H122  1  0.265675  0.692141  0.635058  1
  H  H123  1  0.115763  0.998042  0.657280  1
  H  H124  1  0.744158  0.236046  0.638248  1
  H  H125  1  0.594247  0.541947  0.660470  1
  H  H126  1  0.894070  0.930144  0.616025  1
  H  H127  1  0.560963  0.506238  0.650641  1
  H  H128  1  0.860787  0.894435  0.606197  1
  H  H129  1  0.710875  0.200336  0.628419  1
  H  H130  1  0.339270  0.438340  0.609386  1
  H  H131  1  0.189359  0.744241  0.631608  1
  H  H132  1  0.039447  0.050143  0.653831  1
  H  H133  1  0.915586  0.386239  0.612836  1
  H  H134  1  0.765675  0.692141  0.635058  1
  H  H135  1  0.615763  0.998042  0.657280  1
  H  H136  1  0.244158  0.236046  0.638248  1
  H  H137  1  0.094247  0.541947  0.660470  1
  H  H138  1  0.394070  0.930144  0.616025  1
  H  H139  1  0.060963  0.506238  0.650641  1
  H  H140  1  0.360787  0.894435  0.606197  1
  H  H141  1  0.210875  0.200336  0.628419  1
  H  H142  1  0.839270  0.438340  0.609386  1
  H  H143  1  0.689359  0.744241  0.631608  1
  H  H144  1  0.539447  0.050143  0.653831  1
  H  H145  1  0.965851  0.303944  0.679503  1
  H  H146  1  0.815940  0.609845  0.701725  1
  H  H147  1  0.666028  0.915746  0.723947  1
  H  H148  1  0.294423  0.153750  0.704914  1
  H  H149  1  0.144512  0.459651  0.727137  1
  H  H150  1  0.444335  0.847848  0.682692  1
  H  H151  1  0.111228  0.423942  0.717308  1
  H  H152  1  0.411052  0.812139  0.672863  1
  H  H153  1  0.261140  0.118041  0.695086  1
  H  H154  1  0.889535  0.356044  0.676053  1
  H  H155  1  0.739624  0.661945  0.698275  1
  H  H156  1  0.589712  0.967847  0.720497  1
  H  H157  1  0.465851  0.303944  0.679503  1
  H  H158  1  0.315940  0.609845  0.701725  1
  H  H159  1  0.166028  0.915746  0.723947  1
  H  H160  1  0.794423  0.153750  0.704914  1
  H  H161  1  0.644512  0.459651  0.727137  1
  H  H162  1  0.944335  0.847848  0.682692  1
  H  H163  1  0.611228  0.423942  0.717308  1
  H  H164  1  0.911052  0.812139  0.672863  1
  H  H165  1  0.761140  0.118041  0.695086  1
  H  H166  1  0.389535  0.356044  0.676053  1
  H  H167  1  0.239624  0.661945  0.698275  1
  H  H168  1  0.089712  0.967847  0.720497  1
