# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04888948
_cell_length_b   8.18322997
_cell_length_c   44.97391646
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.70980176
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H117
_cell_volume   2513.94588652
_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  0.676880  0.036218  0.348741  1
  H  H2  1  0.338371  0.976095  0.298990  1
  H  H3  1  0.108624  0.213510  0.317027  1
  H  H4  1  0.337615  0.504299  0.322573  1
  H  H5  1  0.564801  0.794985  0.329810  1
  H  H6  1  0.457610  0.208168  0.316978  1
  H  H7  1  0.674165  0.495137  0.322225  1
  H  H8  1  0.894331  0.800395  0.329136  1
  H  H9  1  0.005937  0.508206  0.322886  1
  H  H10  1  0.008223  0.033070  0.348921  1
  H  H11  1  0.227234  0.795027  0.330193  1
  H  H12  1  0.341646  0.032878  0.350145  1
  H  H13  1  0.567086  0.330079  0.356902  1
  H  H14  1  0.458483  0.623879  0.363119  1
  H  H15  1  0.570587  0.857906  0.381469  1
  H  H16  1  0.897015  0.326714  0.355865  1
  H  H17  1  0.791658  0.623281  0.362983  1
  H  H18  1  0.233954  0.329775  0.356635  1
  H  H19  1  0.902990  0.857757  0.381497  1
  H  H20  1  0.124827  0.623919  0.363506  1
  H  H21  1  0.236170  0.857212  0.381722  1
  H  H22  1  0.461936  0.154495  0.388675  1
  H  H23  1  0.352427  0.452343  0.395627  1
  H  H24  1  0.464205  0.684914  0.414162  1
  H  H25  1  0.794991  0.153753  0.388917  1
  H  H26  1  0.686348  0.452129  0.395639  1
  H  H27  1  0.126992  0.154568  0.388486  1
  H  H28  1  0.797615  0.684391  0.414139  1
  H  H29  1  0.018421  0.450841  0.395256  1
  H  H30  1  0.130470  0.684459  0.414285  1
  H  H31  1  0.355256  0.981186  0.420513  1
  H  H32  1  0.246308  0.278720  0.427202  1
  H  H33  1  0.358298  0.511167  0.446655  1
  H  H34  1  0.688542  0.980373  0.420703  1
  H  H35  1  0.579594  0.279027  0.427433  1
  H  H36  1  0.022371  0.980603  0.420685  1
  H  H37  1  0.691524  0.511212  0.446680  1
  H  H38  1  0.913342  0.278965  0.427442  1
  H  H39  1  0.025000  0.510766  0.446570  1
  H  H40  1  0.249618  0.808472  0.453010  1
  H  H41  1  0.140537  0.105981  0.459442  1
  H  H42  1  0.252502  0.337595  0.478830  1
  H  H43  1  0.582648  0.808356  0.453007  1
  H  H44  1  0.473680  0.105778  0.459464  1
  H  H45  1  0.915989  0.808249  0.452977  1
  H  H46  1  0.585718  0.337512  0.478864  1
  H  H47  1  0.807135  0.105829  0.459422  1
  H  H48  1  0.919178  0.337679  0.478900  1
  H  H49  1  0.143448  0.635531  0.485310  1
  H  H50  1  0.034631  0.932975  0.491672  1
  H  H51  1  0.146720  0.164809  0.511055  1
  H  H52  1  0.476883  0.635527  0.485366  1
  H  H53  1  0.367869  0.933079  0.491766  1
  H  H54  1  0.810360  0.635603  0.485381  1
  H  H55  1  0.479882  0.164624  0.511058  1
  H  H56  1  0.701361  0.932983  0.491740  1
  H  H57  1  0.813075  0.164625  0.511038  1
  H  H58  1  0.037990  0.462790  0.517633  1
  H  H59  1  0.929150  0.760230  0.524161  1
  H  H60  1  0.040720  0.991999  0.542921  1
  H  H61  1  0.370620  0.462573  0.517655  1
  H  H62  1  0.262300  0.759596  0.524081  1
  H  H63  1  0.703987  0.462303  0.517565  1
  H  H64  1  0.374171  0.992066  0.543203  1
  H  H65  1  0.595414  0.760137  0.524104  1
  H  H66  1  0.707288  0.991932  0.543182  1
  H  H67  1  0.931683  0.289689  0.549648  1
  H  H68  1  0.822852  0.586692  0.556191  1
  H  H69  1  0.936086  0.822444  0.575830  1
  H  H70  1  0.264999  0.289399  0.549799  1
  H  H71  1  0.155623  0.586975  0.556769  1
  H  H72  1  0.597876  0.289118  0.549818  1
  H  H73  1  0.267433  0.820891  0.575398  1
  H  H74  1  0.489630  0.586387  0.556432  1
  H  H75  1  0.601343  0.821434  0.575613  1
  H  H76  1  0.826648  0.115643  0.581965  1
  H  H77  1  0.718049  0.410585  0.588708  1
  H  H78  1  0.830555  0.646659  0.606208  1
  H  H79  1  0.158615  0.115466  0.582082  1
  H  H80  1  0.051731  0.409671  0.589033  1
  H  H81  1  0.491798  0.115906  0.582288  1
  H  H82  1  0.165220  0.649950  0.608104  1
  H  H83  1  0.383177  0.410658  0.589012  1
  H  H84  1  0.494592  0.647163  0.607096  1
  H  H85  1  0.720243  0.946283  0.615239  1
  H  H86  1  0.613141  0.234609  0.621465  1
  H  H87  1  0.732578  0.475505  0.638666  1
  H  H88  1  0.054096  0.944258  0.616228  1
  H  H89  1  0.946039  0.229590  0.622062  1
  H  H90  1  0.383680  0.942472  0.615049  1
  H  H91  1  0.062257  0.471272  0.639135  1
  H  H92  1  0.278037  0.231056  0.622427  1
  H  H93  1  0.394063  0.474835  0.639127  1
  H  H94  1  0.616793  0.764508  0.645483  1
  H  H95  1  0.501874  0.056959  0.655518  1
  H  H96  1  0.620344  0.306091  0.669995  1
  H  H97  1  0.944703  0.762048  0.645872  1
  H  H98  1  0.832317  0.054580  0.658587  1
  H  H99  1  0.286833  0.770834  0.649844  1
  H  H100  1  -0.045291  0.299840  0.670603  1
  H  H101  1  0.169885  0.048793  0.659173  1
  H  H102  1  0.294699  0.295995  0.672156  1
  H  H103  1  0.538412  0.587535  0.678781  1
  H  H104  1  0.671379  0.868205  0.688547  1
  H  H105  1  0.627433  0.139780  0.707671  1
  H  H106  1  0.865355  0.587627  0.681261  1
  H  H107  1  0.019614  0.852433  0.688549  1
  H  H108  1  0.194049  0.579338  0.678876  1
  H  H109  1  -0.019429  0.109216  0.707678  1
  H  H110  1  0.335255  0.790049  0.704060  1
  H  H111  1  0.331612  0.069108  0.703497  1
  H  H112  1  0.762386  0.385982  0.712673  1
  H  H113  1  0.668848  0.670031  0.724288  1
  H  H114  1  0.829163  0.907979  0.732043  1
  H  H115  1  0.105859  0.357542  0.713454  1
  H  H116  1  0.040357  0.640314  0.724058  1
  H  H117  1  0.413245  0.435247  0.713448  1
