# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56425247
_cell_length_b   7.62145994
_cell_length_c   46.26494137
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.40855883
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   2993.34243559
_cell_formula_units_Z   90
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  0.976370  0.954789  0.310894  1
  H  H2  1  0.077044  0.939841  0.294769  1
  H  H3  1  0.162132  0.927207  0.281140  1
  H  H4  1  0.309703  0.621456  0.310894  1
  H  H5  1  0.476370  0.954789  0.310894  1
  H  H6  1  0.577044  0.939841  0.294769  1
  H  H7  1  0.662132  0.927207  0.281140  1
  H  H8  1  0.809703  0.621456  0.310894  1
  H  H9  1  0.910377  0.606507  0.294769  1
  H  H10  1  0.995465  0.593873  0.281140  1
  H  H11  1  0.143036  0.288123  0.310894  1
  H  H12  1  0.243711  0.273174  0.294769  1
  H  H13  1  0.410377  0.606507  0.294769  1
  H  H14  1  0.495465  0.593873  0.281140  1
  H  H15  1  0.643036  0.288123  0.310894  1
  H  H16  1  0.743711  0.273174  0.294769  1
  H  H17  1  0.828798  0.260540  0.281140  1
  H  H18  1  0.328798  0.260540  0.281140  1
  H  H19  1  0.194193  0.996688  0.356092  1
  H  H20  1  0.288294  0.982716  0.341019  1
  H  H21  1  0.384053  0.968497  0.325681  1
  H  H22  1  0.527526  0.663355  0.356092  1
  H  H23  1  0.694193  0.996688  0.356092  1
  H  H24  1  0.788294  0.982716  0.341019  1
  H  H25  1  0.884053  0.968497  0.325681  1
  H  H26  1  0.027526  0.663355  0.356092  1
  H  H27  1  0.121627  0.649382  0.341019  1
  H  H28  1  0.217386  0.635164  0.325681  1
  H  H29  1  0.360859  0.330021  0.356092  1
  H  H30  1  0.454960  0.316049  0.341019  1
  H  H31  1  0.621627  0.649382  0.341019  1
  H  H32  1  0.717386  0.635164  0.325681  1
  H  H33  1  0.860859  0.330021  0.356092  1
  H  H34  1  0.954960  0.316049  0.341019  1
  H  H35  1  0.050720  0.301830  0.325681  1
  H  H36  1  0.550720  0.301830  0.325681  1
  H  H37  1  0.410172  0.038861  0.401585  1
  H  H38  1  0.504836  0.024805  0.386422  1
  H  H39  1  0.599338  0.010773  0.371285  1
  H  H40  1  0.743505  0.705527  0.401585  1
  H  H41  1  0.910172  0.038861  0.401585  1
  H  H42  1  0.004836  0.024805  0.386422  1
  H  H43  1  0.099338  0.010773  0.371285  1
  H  H44  1  0.243505  0.705527  0.401585  1
  H  H45  1  0.338170  0.691471  0.386422  1
  H  H46  1  0.432671  0.677439  0.371285  1
  H  H47  1  0.576838  0.372194  0.401585  1
  H  H48  1  0.671503  0.358138  0.386422  1
  H  H49  1  0.838170  0.691471  0.386422  1
  H  H50  1  0.932671  0.677439  0.371285  1
  H  H51  1  0.076838  0.372194  0.401585  1
  H  H52  1  0.171503  0.358138  0.386422  1
  H  H53  1  0.266005  0.344106  0.371285  1
  H  H54  1  0.766005  0.344106  0.371285  1
  H  H55  1  0.626351  0.081004  0.447046  1
  H  H56  1  0.720959  0.066956  0.431892  1
  H  H57  1  0.815583  0.052906  0.416736  1
  H  H58  1  0.959684  0.747670  0.447046  1
  H  H59  1  0.126351  0.081004  0.447046  1
  H  H60  1  0.220959  0.066956  0.431892  1
  H  H61  1  0.315583  0.052906  0.416736  1
  H  H62  1  0.459684  0.747670  0.447046  1
  H  H63  1  0.554292  0.733623  0.431892  1
  H  H64  1  0.648916  0.719572  0.416736  1
  H  H65  1  0.793018  0.414337  0.447046  1
  H  H66  1  0.887625  0.400289  0.431892  1
  H  H67  1  0.054292  0.733623  0.431892  1
  H  H68  1  0.148916  0.719572  0.416736  1
  H  H69  1  0.293018  0.414337  0.447046  1
  H  H70  1  0.387625  0.400289  0.431892  1
  H  H71  1  0.482249  0.386239  0.416736  1
  H  H72  1  0.982249  0.386239  0.416736  1
  H  H73  1  0.842510  0.123150  0.492511  1
  H  H74  1  0.937124  0.109101  0.477356  1
  H  H75  1  0.031736  0.095053  0.462201  1
  H  H76  1  0.175844  0.789816  0.492511  1
  H  H77  1  0.342510  0.123150  0.492511  1
  H  H78  1  0.437124  0.109101  0.477356  1
  H  H79  1  0.531736  0.095053  0.462201  1
  H  H80  1  0.675844  0.789816  0.492511  1
  H  H81  1  0.770457  0.775768  0.477356  1
  H  H82  1  0.865069  0.761719  0.462201  1
  H  H83  1  0.009177  0.456483  0.492511  1
  H  H84  1  0.103791  0.442434  0.477356  1
  H  H85  1  0.270457  0.775768  0.477356  1
  H  H86  1  0.365069  0.761719  0.462201  1
  H  H87  1  0.509177  0.456483  0.492511  1
  H  H88  1  0.603791  0.442434  0.477356  1
  H  H89  1  0.698402  0.428386  0.462201  1
  H  H90  1  0.198402  0.428386  0.462201  1
  H  H91  1  0.058673  0.165295  0.537974  1
  H  H92  1  0.153284  0.151247  0.522820  1
  H  H93  1  0.247898  0.137198  0.507665  1
  H  H94  1  0.392006  0.831962  0.537974  1
  H  H95  1  0.558673  0.165295  0.537974  1
  H  H96  1  0.653284  0.151247  0.522820  1
  H  H97  1  0.747898  0.137198  0.507665  1
  H  H98  1  0.892006  0.831962  0.537974  1
  H  H99  1  0.986618  0.817913  0.522820  1
  H  H100  1  0.081231  0.803865  0.507665  1
  H  H101  1  0.225339  0.498628  0.537974  1
  H  H102  1  0.319951  0.484580  0.522820  1
  H  H103  1  0.486618  0.817913  0.522820  1
  H  H104  1  0.581231  0.803865  0.507665  1
  H  H105  1  0.725339  0.498628  0.537974  1
  H  H106  1  0.819951  0.484580  0.522820  1
  H  H107  1  0.914565  0.470531  0.507665  1
  H  H108  1  0.414565  0.470531  0.507665  1
  H  H109  1  0.274826  0.207442  0.583440  1
  H  H110  1  0.369450  0.193392  0.568283  1
  H  H111  1  0.464057  0.179344  0.553129  1
  H  H112  1  0.608159  0.874108  0.583440  1
  H  H113  1  0.774826  0.207442  0.583440  1
  H  H114  1  0.869450  0.193392  0.568283  1
  H  H115  1  0.964057  0.179344  0.553129  1
  H  H116  1  0.108159  0.874108  0.583440  1
  H  H117  1  0.202783  0.860058  0.568283  1
  H  H118  1  0.297391  0.846010  0.553129  1
  H  H119  1  0.441492  0.540775  0.583440  1
  H  H120  1  0.536116  0.526725  0.568283  1
  H  H121  1  0.702783  0.860058  0.568283  1
  H  H122  1  0.797391  0.846010  0.553129  1
  H  H123  1  0.941492  0.540775  0.583440  1
  H  H124  1  0.036116  0.526725  0.568283  1
  H  H125  1  0.130724  0.512677  0.553129  1
  H  H126  1  0.630724  0.512677  0.553129  1
  H  H127  1  0.491070  0.249575  0.628890  1
  H  H128  1  0.585572  0.235543  0.613753  1
  H  H129  1  0.680237  0.221487  0.598591  1
  H  H130  1  0.824404  0.916242  0.628890  1
  H  H131  1  0.991070  0.249575  0.628890  1
  H  H132  1  0.085572  0.235543  0.613753  1
  H  H133  1  0.180237  0.221487  0.598591  1
  H  H134  1  0.324404  0.916242  0.628890  1
  H  H135  1  0.418905  0.902210  0.613753  1
  H  H136  1  0.513570  0.888153  0.598591  1
  H  H137  1  0.657737  0.582908  0.628890  1
  H  H138  1  0.752239  0.568876  0.613753  1
  H  H139  1  0.918905  0.902210  0.613753  1
  H  H140  1  0.013570  0.888153  0.598591  1
  H  H141  1  0.157737  0.582908  0.628890  1
  H  H142  1  0.252239  0.568876  0.613753  1
  H  H143  1  0.346903  0.554820  0.598591  1
  H  H144  1  0.846903  0.554820  0.598591  1
  H  H145  1  0.706355  0.291851  0.674495  1
  H  H146  1  0.802115  0.277632  0.659156  1
  H  H147  1  0.896216  0.263659  0.644084  1
  H  H148  1  0.039689  0.958517  0.674495  1
  H  H149  1  0.206355  0.291851  0.674495  1
  H  H150  1  0.302115  0.277632  0.659156  1
  H  H151  1  0.396216  0.263659  0.644084  1
  H  H152  1  0.539689  0.958517  0.674495  1
  H  H153  1  0.635448  0.944299  0.659156  1
  H  H154  1  0.729549  0.930326  0.644084  1
  H  H155  1  0.873022  0.625184  0.674495  1
  H  H156  1  0.968781  0.610965  0.659156  1
  H  H157  1  0.135448  0.944299  0.659156  1
  H  H158  1  0.229549  0.930326  0.644084  1
  H  H159  1  0.373022  0.625184  0.674495  1
  H  H160  1  0.468781  0.610965  0.659156  1
  H  H161  1  0.562883  0.596993  0.644084  1
  H  H162  1  0.062883  0.596993  0.644084  1
  H  H163  1  0.928277  0.333141  0.719036  1
  H  H164  1  0.013364  0.320507  0.705407  1
  H  H165  1  0.114039  0.305558  0.689282  1
  H  H166  1  0.261610  0.999808  0.719036  1
  H  H167  1  0.428277  0.333141  0.719036  1
  H  H168  1  0.513364  0.320507  0.705407  1
  H  H169  1  0.614039  0.305558  0.689282  1
  H  H170  1  0.761610  0.999808  0.719036  1
  H  H171  1  0.846698  0.987173  0.705407  1
  H  H172  1  0.947372  0.972225  0.689282  1
  H  H173  1  0.094943  0.666474  0.719036  1
  H  H174  1  0.180031  0.653840  0.705407  1
  H  H175  1  0.346698  0.987173  0.705407  1
  H  H176  1  0.447372  0.972225  0.689282  1
  H  H177  1  0.594943  0.666474  0.719036  1
  H  H178  1  0.680031  0.653840  0.705407  1
  H  H179  1  0.780705  0.638892  0.689282  1
  H  H180  1  0.280705  0.638892  0.689282  1
