# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48475906
_cell_length_b   7.90348564
_cell_length_c   49.30061508
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.97660531
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H120
_cell_volume   2517.05975718
_cell_formula_units_Z   60
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  0.433423  0.069444  0.255414  1
  H  H2  1  0.730679  0.067968  0.284820  1
  H  H3  1  0.079733  0.086581  0.268973  1
  H  H4  1  0.564977  0.820766  0.276557  1
  H  H5  1  0.914764  0.839375  0.260856  1
  H  H6  1  0.209134  0.819695  0.289715  1
  H  H7  1  0.386145  0.586217  0.266512  1
  H  H8  1  0.754935  0.580998  0.254160  1
  H  H9  1  1.035536  0.575783  0.282873  1
  H  H10  1  0.258931  0.323919  0.277424  1
  H  H11  1  0.608364  0.323285  0.263199  1
  H  H12  1  0.901581  0.316810  0.291516  1
  H  H13  1  0.374182  0.056309  0.300545  1
  H  H14  1  0.656959  0.017790  0.329176  1
  H  H15  1  1.016534  0.037480  0.313967  1
  H  H16  1  0.483943  0.780022  0.321025  1
  H  H17  1  0.846140  0.796439  0.306178  1
  H  H18  1  0.127068  0.759893  0.334684  1
  H  H19  1  0.314067  0.539825  0.311927  1
  H  H20  1  0.667126  0.555030  0.298416  1
  H  H21  1  0.951437  0.520789  0.327053  1
  H  H22  1  0.182684  0.279100  0.322129  1
  H  H23  1  0.542619  0.294926  0.308136  1
  H  H24  1  0.826491  0.258529  0.336381  1
  H  H25  1  0.294289  0.999346  0.343991  1
  H  H26  1  0.575151  0.959858  0.373118  1
  H  H27  1  0.936678  0.978659  0.358123  1
  H  H28  1  0.403150  0.721161  0.365116  1
  H  H29  1  0.764325  0.739672  0.350245  1
  H  H30  1  0.044918  0.701561  0.379361  1
  H  H31  1  0.232717  0.482249  0.356348  1
  H  H32  1  0.590994  0.500651  0.342390  1
  H  H33  1  0.872588  0.462256  0.371393  1
  H  H34  1  0.104925  0.219713  0.366320  1
  H  H35  1  0.464227  0.237977  0.351819  1
  H  H36  1  0.746320  0.199763  0.380753  1
  H  H37  1  0.214375  0.941064  0.387968  1
  H  H38  1  0.494720  0.902315  0.417258  1
  H  H39  1  0.855247  0.921369  0.402345  1
  H  H40  1  0.323328  0.663021  0.409336  1
  H  H41  1  0.683840  0.681796  0.394464  1
  H  H42  1  0.964229  0.643486  0.423792  1
  H  H43  1  0.152901  0.423705  0.400791  1
  H  H44  1  0.511461  0.442514  0.386437  1
  H  H45  1  0.792411  0.404220  0.415674  1
  H  H46  1  1.025322  0.161496  0.410575  1
  H  H47  1  0.385362  0.180165  0.395917  1
  H  H48  1  0.666143  0.142047  0.425136  1
  H  H49  1  0.134004  0.883290  0.432072  1
  H  H50  1  0.414217  0.844792  0.461443  1
  H  H51  1  0.774718  0.863829  0.446587  1
  H  H52  1  0.243183  0.605225  0.453568  1
  H  H53  1  0.603685  0.624174  0.438718  1
  H  H54  1  0.883817  0.585805  0.468105  1
  H  H55  1  0.072452  0.365757  0.445175  1
  H  H56  1  0.431741  0.384820  0.430665  1
  H  H57  1  0.712241  0.346543  0.459987  1
  H  H58  1  0.945309  0.103566  0.454877  1
  H  H59  1  0.305414  0.122552  0.440129  1
  H  H60  1  0.585902  0.084323  0.469452  1
  H  H61  1  0.053695  0.825633  0.476287  1
  H  H62  1  0.333827  0.787264  0.505673  1
  H  H63  1  0.694329  0.806213  0.490823  1
  H  H64  1  0.162794  0.547609  0.497805  1
  H  H65  1  0.523295  0.566646  0.482949  1
  H  H66  1  0.803508  0.528149  0.512319  1
  H  H67  1  0.992203  0.307872  0.489515  1
  H  H68  1  0.351610  0.327115  0.474939  1
  H  H69  1  0.632098  0.288887  0.504263  1
  H  H70  1  0.865060  0.045681  0.499217  1
  H  H71  1  0.225271  0.064895  0.484405  1
  H  H72  1  0.505771  0.026618  0.513727  1
  H  H73  1  0.973283  0.767952  0.520600  1
  H  H74  1  0.253672  0.729642  0.549928  1
  H  H75  1  0.614184  0.748417  0.535056  1
  H  H76  1  0.082265  0.490069  0.542046  1
  H  H77  1  0.442792  0.509123  0.527133  1
  H  H78  1  0.723137  0.470374  0.556423  1
  H  H79  1  0.912190  0.249942  0.533817  1
  H  H80  1  0.271369  0.269391  0.519255  1
  H  H81  1  0.552151  0.231273  0.548475  1
  H  H82  1  0.784611  0.987733  0.543601  1
  H  H83  1  0.145101  0.007218  0.528717  1
  H  H84  1  0.426051  0.968924  0.557955  1
  H  H85  1  0.892594  0.709877  0.565030  1
  H  H86  1  0.173187  0.671766  0.594146  1
  H  H87  1  0.534362  0.690277  0.579275  1
  H  H88  1  1.000834  0.432779  0.586268  1
  H  H89  1  0.362362  0.451580  0.571273  1
  H  H90  1  0.643223  0.412093  0.600400  1
  H  H91  1  0.832587  0.191725  0.578072  1
  H  H92  1  0.191192  0.211675  0.563639  1
  H  H93  1  0.473285  0.173461  0.592573  1
  H  H94  1  0.704796  0.929190  0.588044  1
  H  H95  1  0.064924  0.949182  0.572998  1
  H  H96  1  0.346518  0.910787  0.602002  1
  H  H97  1  0.810444  0.651545  0.609707  1
  H  H98  1  0.091372  0.614999  0.638213  1
  H  H99  1  0.453569  0.631416  0.623366  1
  H  H100  1  0.920978  0.373958  0.630425  1
  H  H101  1  0.280553  0.393649  0.615216  1
  H  H102  1  0.563330  0.355129  0.643847  1
  H  H103  1  0.754828  0.132338  0.622263  1
  H  H104  1  0.111021  0.152909  0.608010  1
  H  H105  1  0.394893  0.116512  0.636255  1
  H  H106  1  0.623445  0.871613  0.632464  1
  H  H107  1  0.986075  0.890649  0.617338  1
  H  H108  1  0.270386  0.856408  0.645976  1
  H  H109  1  0.728379  0.591743  0.654677  1
  H  H110  1  1.022748  0.572063  0.683536  1
  H  H111  1  0.372535  0.590672  0.667835  1
  H  H112  1  0.857779  0.324857  0.675419  1
  H  H113  1  0.206833  0.343470  0.659572  1
  H  H114  1  0.504089  0.341994  0.688978  1
  H  H115  1  0.678581  0.087519  0.666968  1
  H  H116  1  1.035932  0.094628  0.652876  1
  H  H117  1  0.329148  0.088153  0.681193  1
  H  H118  1  0.551367  0.825221  0.677880  1
  H  H119  1  0.901976  0.835655  0.661519  1
  H  H120  1  0.182577  0.830440  0.690232  1
