# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17126063
_cell_length_b   6.67599396
_cell_length_c   64.59908976
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.21934643
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H117
_cell_volume   2396.53285469
_cell_formula_units_Z   58
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  1.092342  0.461668  0.175979  1
  H  H2  1  0.822405  0.427358  0.153150  1
  H  H3  1  1.092342  0.128335  0.175979  1
  H  H4  1  0.450840  0.443906  0.164011  1
  H  H5  1  0.822405  0.094025  0.153150  1
  H  H6  1  1.092342  0.795001  0.175979  1
  H  H7  1  0.450840  0.110573  0.164011  1
  H  H8  1  0.822405  0.760691  0.153150  1
  H  H9  1  0.450840  0.777239  0.164011  1
  H  H10  1  0.999229  0.523234  0.210037  1
  H  H11  1  0.725667  0.483448  0.187392  1
  H  H12  1  0.999229  0.189901  0.210037  1
  H  H13  1  0.364257  0.501380  0.198712  1
  H  H14  1  0.725667  0.150114  0.187392  1
  H  H15  1  0.999229  0.856568  0.210037  1
  H  H16  1  0.364257  0.168046  0.198712  1
  H  H17  1  0.725667  0.816781  0.187392  1
  H  H18  1  0.364257  0.834713  0.198712  1
  H  H19  1  0.908928  0.578588  0.244198  1
  H  H20  1  0.636247  0.540392  0.221423  1
  H  H21  1  0.908928  0.245255  0.244198  1
  H  H22  1  0.272318  0.560106  0.232786  1
  H  H23  1  0.636247  0.207058  0.221423  1
  H  H24  1  0.908928  0.911921  0.244198  1
  H  H25  1  0.272318  0.226773  0.232786  1
  H  H26  1  0.636247  0.873725  0.221423  1
  H  H27  1  0.272318  0.893440  0.232786  1
  H  H28  1  0.818016  0.636047  0.278355  1
  H  H29  1  0.545206  0.597903  0.255574  1
  H  H30  1  0.818016  0.302714  0.278355  1
  H  H31  1  0.181634  0.617088  0.266962  1
  H  H32  1  0.545206  0.264570  0.255574  1
  H  H33  1  0.818016  0.969380  0.278355  1
  H  H34  1  0.181634  0.283755  0.266962  1
  H  H35  1  0.545206  0.931237  0.255574  1
  H  H36  1  0.181634  0.950422  0.266962  1
  H  H37  1  0.727160  0.693279  0.312518  1
  H  H38  1  0.454381  0.655200  0.289740  1
  H  H39  1  0.727160  0.359946  0.312518  1
  H  H40  1  1.090801  0.674148  0.301131  1
  H  H41  1  0.454381  0.321867  0.289740  1
  H  H42  1  0.727160  0.026613  0.312518  1
  H  H43  1  1.090801  0.340815  0.301131  1
  H  H44  1  0.454381  0.988533  0.289740  1
  H  H45  1  1.090801  1.007481  0.301131  1
  H  H46  1  0.636323  0.750473  0.346684  1
  H  H47  1  0.363557  0.712330  0.323907  1
  H  H48  1  0.636323  0.417140  0.346684  1
  H  H49  1  0.999939  0.731402  0.335295  1
  H  H50  1  0.363557  0.378997  0.323907  1
  H  H51  1  0.636323  0.083807  0.346684  1
  H  H52  1  0.999939  0.398068  0.335295  1
  H  H53  1  0.363557  0.045664  0.323907  1
  H  H54  1  0.999939  0.064735  0.335295  1
  H  H55  1  0.545480  0.807668  0.380849  1
  H  H56  1  0.272711  0.769528  0.358072  1
  H  H57  1  0.545480  0.474335  0.380849  1
  H  H58  1  0.909095  0.788598  0.369461  1
  H  H59  1  0.272711  0.436194  0.358072  1
  H  H60  1  0.545480  0.141002  0.380849  1
  H  H61  1  0.909095  0.455265  0.369461  1
  H  H62  1  0.272711  0.102861  0.358072  1
  H  H63  1  0.909095  0.121931  0.369461  1
  H  H64  1  0.454634  0.864866  0.415014  1
  H  H65  1  0.181868  0.826723  0.392237  1
  H  H66  1  0.454634  0.531532  0.415014  1
  H  H67  1  0.818252  0.845795  0.403626  1
  H  H68  1  0.181868  0.493389  0.392237  1
  H  H69  1  0.454634  0.198199  0.415014  1
  H  H70  1  0.818252  0.512461  0.403626  1
  H  H71  1  0.181868  0.160056  0.392237  1
  H  H72  1  0.818252  0.179128  0.403626  1
  H  H73  1  0.363810  0.921996  0.449181  1
  H  H74  1  1.091031  0.883917  0.426403  1
  H  H75  1  0.363810  0.588663  0.449181  1
  H  H76  1  0.727390  0.903048  0.437790  1
  H  H77  1  1.091031  0.550583  0.426403  1
  H  H78  1  0.363810  0.255330  0.449181  1
  H  H79  1  0.727390  0.569715  0.437790  1
  H  H80  1  1.091031  0.217250  0.426403  1
  H  H81  1  0.727390  0.236382  0.437790  1
  H  H82  1  0.272985  0.979293  0.483347  1
  H  H83  1  1.000174  0.941149  0.460566  1
  H  H84  1  0.272985  0.645960  0.483347  1
  H  H85  1  0.636557  0.960108  0.471959  1
  H  H86  1  1.000174  0.607816  0.460566  1
  H  H87  1  0.272985  0.312626  0.483347  1
  H  H88  1  0.636557  0.626775  0.471959  1
  H  H89  1  1.000174  0.274482  0.460566  1
  H  H90  1  0.636557  0.293441  0.471959  1
  H  H91  1  0.181943  0.036804  0.517498  1
  H  H92  1  0.909263  0.998608  0.494723  1
  H  H93  1  0.181943  0.703471  0.517498  1
  H  H94  1  0.545872  1.017090  0.506135  1
  H  H95  1  0.909263  0.665275  0.494723  1
  H  H96  1  0.181943  0.370138  0.517498  1
  H  H97  1  0.545872  0.683756  0.506135  1
  H  H98  1  0.909263  0.331941  0.494723  1
  H  H99  1  0.545872  0.350423  0.506135  1
  H  H100  1  1.092524  0.093748  0.551529  1
  H  H101  1  0.818962  0.053962  0.528884  1
  H  H102  1  1.092524  0.760415  0.551529  1
  H  H103  1  0.453934  0.075816  0.540209  1
  H  H104  1  0.818962  0.720628  0.528884  1
  H  H105  1  1.092524  0.427082  0.551529  1
  H  H106  1  0.453934  0.742483  0.540209  1
  H  H107  1  0.818962  0.387295  0.528884  1
  H  H108  1  0.453934  0.409150  0.540209  1
  H  H109  1  0.995785  0.149838  0.585771  1
  H  H110  1  0.725849  0.115528  0.562942  1
  H  H111  1  0.995785  0.816505  0.585771  1
  H  H112  1  0.367350  0.133290  0.574910  1
  H  H113  1  0.725849  0.782195  0.562942  1
  H  H114  1  0.995785  0.483172  0.585771  1
  H  H115  1  0.367350  0.799957  0.574910  1
  H  H116  1  0.725849  0.448862  0.562942  1
  H  H117  1  0.367350  0.466623  0.574910  1
