# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.54708043
_cell_length_b   12.40400316
_cell_length_c   46.74605391
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.12109901
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H468
_cell_volume   9272.92815469
_cell_formula_units_Z   234
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  0.184407  0.431040  0.291127  1
  H  H2  1  0.684407  0.431040  0.291127  1
  H  H3  1  0.902587  0.462856  0.268307  1
  H  H4  1  0.017741  0.097707  0.291127  1
  H  H5  1  0.044756  0.452665  0.279406  1
  H  H6  1  0.235920  0.129523  0.268307  1
  H  H7  1  0.402587  0.462856  0.268307  1
  H  H8  1  0.517741  0.097707  0.291127  1
  H  H9  1  0.544756  0.452665  0.279406  1
  H  H10  1  0.735920  0.129523  0.268307  1
  H  H11  1  0.851074  0.764374  0.291127  1
  H  H12  1  0.878089  0.119332  0.279406  1
  H  H13  1  0.069253  0.796189  0.268307  1
  H  H14  1  0.211422  0.785999  0.279406  1
  H  H15  1  0.351074  0.764374  0.291127  1
  H  H16  1  0.378089  0.119332  0.279406  1
  H  H17  1  0.569253  0.796189  0.268307  1
  H  H18  1  0.711422  0.785999  0.279406  1
  H  H19  1  0.156850  0.616479  0.277685  1
  H  H20  1  0.656850  0.616479  0.277685  1
  H  H21  1  0.796841  0.603008  0.289708  1
  H  H22  1  0.990183  0.283146  0.277685  1
  H  H23  1  0.937315  0.588477  0.301551  1
  H  H24  1  0.130175  0.269674  0.289708  1
  H  H25  1  0.296841  0.603008  0.289708  1
  H  H26  1  0.490183  0.283146  0.277685  1
  H  H27  1  0.437315  0.588477  0.301551  1
  H  H28  1  0.630175  0.269674  0.289708  1
  H  H29  1  0.823516  0.949812  0.277685  1
  H  H30  1  0.770648  0.255144  0.301551  1
  H  H31  1  0.963508  0.936341  0.289708  1
  H  H32  1  0.103982  0.921810  0.301551  1
  H  H33  1  0.323516  0.949812  0.277685  1
  H  H34  1  0.270648  0.255144  0.301551  1
  H  H35  1  0.463508  0.936341  0.289708  1
  H  H36  1  0.603982  0.921810  0.301551  1
  H  H37  1  0.092700  0.392757  0.327119  1
  H  H38  1  0.592700  0.392757  0.327119  1
  H  H39  1  0.820523  0.416196  0.303455  1
  H  H40  1  0.926034  0.059423  0.327119  1
  H  H41  1  0.956864  0.406131  0.315801  1
  H  H42  1  0.153856  0.082863  0.303455  1
  H  H43  1  0.320523  0.416196  0.303455  1
  H  H44  1  0.426034  0.059423  0.327119  1
  H  H45  1  0.456864  0.406131  0.315801  1
  H  H46  1  0.653856  0.082863  0.303455  1
  H  H47  1  0.759367  0.726090  0.327119  1
  H  H48  1  0.790198  0.072798  0.315801  1
  H  H49  1  0.987190  0.749530  0.303455  1
  H  H50  1  0.123531  0.739464  0.315801  1
  H  H51  1  0.259367  0.726090  0.327119  1
  H  H52  1  0.290198  0.072798  0.315801  1
  H  H53  1  0.487190  0.749530  0.303455  1
  H  H54  1  0.623531  0.739464  0.315801  1
  H  H55  1  0.074311  0.574565  0.313943  1
  H  H56  1  0.574311  0.574565  0.313943  1
  H  H57  1  0.711143  0.560880  0.325267  1
  H  H58  1  0.907644  0.241231  0.313943  1
  H  H59  1  0.847902  0.547804  0.336603  1
  H  H60  1  0.044476  0.227547  0.325267  1
  H  H61  1  0.211143  0.560880  0.325267  1
  H  H62  1  0.407644  0.241231  0.313943  1
  H  H63  1  0.347902  0.547804  0.336603  1
  H  H64  1  0.544476  0.227547  0.325267  1
  H  H65  1  0.740978  0.907898  0.313943  1
  H  H66  1  0.681235  0.214470  0.336603  1
  H  H67  1  0.877809  0.894214  0.325267  1
  H  H68  1  0.014568  0.881137  0.336603  1
  H  H69  1  0.240978  0.907898  0.313943  1
  H  H70  1  0.181235  0.214470  0.336603  1
  H  H71  1  0.377809  0.894214  0.325267  1
  H  H72  1  0.514568  0.881137  0.336603  1
  H  H73  1  1.001754  0.352415  0.362117  1
  H  H74  1  0.501754  0.352415  0.362117  1
  H  H75  1  0.728747  0.379169  0.338802  1
  H  H76  1  0.835087  0.019081  0.362117  1
  H  H77  1  0.865136  0.366255  0.350532  1
  H  H78  1  0.062081  0.045836  0.338802  1
  H  H79  1  0.228747  0.379169  0.338802  1
  H  H80  1  0.335087  0.019081  0.362117  1
  H  H81  1  0.365136  0.366255  0.350532  1
  H  H82  1  0.562081  0.045836  0.338802  1
  H  H83  1  0.668421  0.685748  0.362117  1
  H  H84  1  0.698469  0.032922  0.350532  1
  H  H85  1  0.895414  0.712502  0.338802  1
  H  H86  1  0.031802  0.699589  0.350532  1
  H  H87  1  0.168421  0.685748  0.362117  1
  H  H88  1  0.198469  0.032922  0.350532  1
  H  H89  1  0.395414  0.712502  0.338802  1
  H  H90  1  0.531802  0.699589  0.350532  1
  H  H91  1  0.984473  0.534856  0.348678  1
  H  H92  1  0.484473  0.534856  0.348678  1
  H  H93  1  0.621303  0.521194  0.360411  1
  H  H94  1  0.817807  0.201522  0.348678  1
  H  H95  1  0.757919  0.507881  0.371956  1
  H  H96  1  0.954637  0.187861  0.360411  1
  H  H97  1  0.121303  0.521194  0.360411  1
  H  H98  1  0.317807  0.201522  0.348678  1
  H  H99  1  0.257919  0.507881  0.371956  1
  H  H100  1  0.454637  0.187861  0.360411  1
  H  H101  1  0.651140  0.868189  0.348678  1
  H  H102  1  0.591252  0.174547  0.371956  1
  H  H103  1  0.787970  0.854527  0.360411  1
  H  H104  1  0.924586  0.841214  0.371956  1
  H  H105  1  0.151140  0.868189  0.348678  1
  H  H106  1  0.091252  0.174547  0.371956  1
  H  H107  1  0.287970  0.854527  0.360411  1
  H  H108  1  0.424586  0.841214  0.371956  1
  H  H109  1  0.910880  0.312432  0.397095  1
  H  H110  1  0.410880  0.312432  0.397095  1
  H  H111  1  0.638094  0.338884  0.373632  1
  H  H112  1  0.744214  0.979098  0.397095  1
  H  H113  1  0.774396  0.325849  0.385415  1
  H  H114  1  0.971427  0.005551  0.373632  1
  H  H115  1  0.138094  0.338884  0.373632  1
  H  H116  1  0.244214  0.979098  0.397095  1
  H  H117  1  0.274396  0.325849  0.385415  1
  H  H118  1  0.471427  0.005551  0.373632  1
  H  H119  1  0.577547  0.645765  0.397095  1
  H  H120  1  0.607730  0.992516  0.385415  1
  H  H121  1  0.804760  0.672218  0.373632  1
  H  H122  1  0.941063  0.659182  0.385415  1
  H  H123  1  0.077547  0.645765  0.397095  1
  H  H124  1  0.107730  0.992516  0.385415  1
  H  H125  1  0.304760  0.672218  0.373632  1
  H  H126  1  0.441063  0.659182  0.385415  1
  H  H127  1  0.894361  0.494561  0.383634  1
  H  H128  1  0.394361  0.494561  0.383634  1
  H  H129  1  0.530892  0.480991  0.395394  1
  H  H130  1  0.727694  0.161227  0.383634  1
  H  H131  1  0.667386  0.467583  0.407080  1
  H  H132  1  0.864225  0.147657  0.395394  1
  H  H133  1  0.030892  0.480991  0.395394  1
  H  H134  1  0.227694  0.161227  0.383634  1
  H  H135  1  0.167386  0.467583  0.407080  1
  H  H136  1  0.364225  0.147657  0.395394  1
  H  H137  1  0.561028  0.827894  0.383634  1
  H  H138  1  0.500719  0.134249  0.407080  1
  H  H139  1  0.697559  0.814324  0.395394  1
  H  H140  1  0.834053  0.800916  0.407080  1
  H  H141  1  0.061028  0.827894  0.383634  1
  H  H142  1  1.000719  0.134249  0.407080  1
  H  H143  1  0.197559  0.814324  0.395394  1
  H  H144  1  0.334053  0.800916  0.407080  1
  H  H145  1  0.820334  0.272214  0.432136  1
  H  H146  1  0.320334  0.272214  0.432136  1
  H  H147  1  0.547414  0.298945  0.408761  1
  H  H148  1  0.653667  0.938881  0.432136  1
  H  H149  1  0.683850  0.285600  0.420430  1
  H  H150  1  0.880747  0.965612  0.408761  1
  H  H151  1  0.047414  0.298945  0.408761  1
  H  H152  1  0.153667  0.938881  0.432136  1
  H  H153  1  0.183850  0.285600  0.420430  1
  H  H154  1  0.380747  0.965612  0.408761  1
  H  H155  1  0.487000  0.605547  0.432136  1
  H  H156  1  0.517183  0.952267  0.420430  1
  H  H157  1  0.714081  0.632278  0.408761  1
  H  H158  1  0.850516  0.618934  0.420430  1
  H  H159  1  0.987000  0.605547  0.432136  1
  H  H160  1  0.017183  0.952267  0.420430  1
  H  H161  1  0.214081  0.632278  0.408761  1
  H  H162  1  0.350516  0.618934  0.420430  1
  H  H163  1  0.803867  0.454269  0.418762  1
  H  H164  1  0.303867  0.454269  0.418762  1
  H  H165  1  0.440335  0.440858  0.430456  1
  H  H166  1  0.637201  0.120936  0.418762  1
  H  H167  1  0.576822  0.427437  0.442167  1
  H  H168  1  0.773668  0.107524  0.430456  1
  H  H169  1  0.940335  0.440858  0.430456  1
  H  H170  1  0.137201  0.120936  0.418762  1
  H  H171  1  0.076822  0.427437  0.442167  1
  H  H172  1  0.273668  0.107524  0.430456  1
  H  H173  1  0.470534  0.787602  0.418762  1
  H  H174  1  0.410155  0.094104  0.442167  1
  H  H175  1  0.607001  0.774191  0.430456  1
  H  H176  1  0.743488  0.760771  0.442167  1
  H  H177  1  0.970534  0.787602  0.418762  1
  H  H178  1  0.910155  0.094104  0.442167  1
  H  H179  1  0.107001  0.774191  0.430456  1
  H  H180  1  0.243488  0.760771  0.442167  1
  H  H181  1  0.729790  0.232036  0.467204  1
  H  H182  1  0.229790  0.232036  0.467204  1
  H  H183  1  0.456831  0.258816  0.443825  1
  H  H184  1  0.563123  0.898702  0.467204  1
  H  H185  1  0.593314  0.245425  0.455518  1
  H  H186  1  0.790164  0.925482  0.443825  1
  H  H187  1  0.956831  0.258816  0.443825  1
  H  H188  1  0.063123  0.898702  0.467204  1
  H  H189  1  0.093314  0.245425  0.455518  1
  H  H190  1  0.290164  0.925482  0.443825  1
  H  H191  1  0.396457  0.565369  0.467204  1
  H  H192  1  0.426647  0.912092  0.455518  1
  H  H193  1  0.623497  0.592149  0.443825  1
  H  H194  1  0.759981  0.578758  0.455518  1
  H  H195  1  0.896457  0.565369  0.467204  1
  H  H196  1  0.926647  0.912092  0.455518  1
  H  H197  1  0.123497  0.592149  0.443825  1
  H  H198  1  0.259981  0.578758  0.455518  1
  H  H199  1  0.713310  0.414043  0.453854  1
  H  H200  1  0.213310  0.414043  0.453854  1
  H  H201  1  0.349791  0.400653  0.465545  1
  H  H202  1  0.546644  0.080710  0.453854  1
  H  H203  1  0.486265  0.387260  0.477242  1
  H  H204  1  0.683124  0.067320  0.465545  1
  H  H205  1  0.849791  0.400653  0.465545  1
  H  H206  1  0.046644  0.080710  0.453854  1
  H  H207  1  0.986265  0.387260  0.477242  1
  H  H208  1  0.183124  0.067320  0.465545  1
  H  H209  1  0.379977  0.747377  0.453854  1
  H  H210  1  0.319599  0.053927  0.477242  1
  H  H211  1  0.516457  0.733986  0.465545  1
  H  H212  1  0.652932  0.720594  0.477242  1
  H  H213  1  0.879977  0.747377  0.453854  1
  H  H214  1  0.819599  0.053927  0.477242  1
  H  H215  1  0.016457  0.733986  0.465545  1
  H  H216  1  0.152932  0.720594  0.477242  1
  H  H217  1  0.639238  0.191854  0.502284  1
  H  H218  1  0.139238  0.191854  0.502284  1
  H  H219  1  0.366271  0.218646  0.478901  1
  H  H220  1  0.472572  0.858520  0.502284  1
  H  H221  1  0.502754  0.205249  0.490593  1
  H  H222  1  0.699605  0.885313  0.478901  1
  H  H223  1  0.866271  0.218646  0.478901  1
  H  H224  1  0.972572  0.858520  0.502284  1
  H  H225  1  0.002754  0.205249  0.490593  1
  H  H226  1  0.199605  0.885313  0.478901  1
  H  H227  1  0.305905  0.525187  0.502284  1
  H  H228  1  0.336088  0.871916  0.490593  1
  H  H229  1  0.532938  0.551979  0.478901  1
  H  H230  1  0.669421  0.538582  0.490593  1
  H  H231  1  0.805905  0.525187  0.502284  1
  H  H232  1  0.836088  0.871916  0.490593  1
  H  H233  1  0.032938  0.551979  0.478901  1
  H  H234  1  0.169421  0.538582  0.490593  1
  H  H235  1  0.622749  0.373867  0.488938  1
  H  H236  1  0.122749  0.373867  0.488938  1
  H  H237  1  0.259233  0.360471  0.500628  1
  H  H238  1  0.456083  0.040533  0.488938  1
  H  H239  1  0.395716  0.347074  0.512321  1
  H  H240  1  0.592567  0.027138  0.500628  1
  H  H241  1  0.759233  0.360471  0.500628  1
  H  H242  1  0.956083  0.040533  0.488938  1
  H  H243  1  0.895716  0.347074  0.512321  1
  H  H244  1  0.092567  0.027138  0.500628  1
  H  H245  1  0.289416  0.707200  0.488938  1
  H  H246  1  0.229050  0.013741  0.512321  1
  H  H247  1  0.425900  0.693805  0.500628  1
  H  H248  1  0.562383  0.680407  0.512321  1
  H  H249  1  0.789416  0.707200  0.488938  1
  H  H250  1  0.729050  0.013741  0.512321  1
  H  H251  1  0.925900  0.693805  0.500628  1
  H  H252  1  0.062383  0.680407  0.512321  1
  H  H253  1  0.548677  0.151677  0.537367  1
  H  H254  1  0.048677  0.151677  0.537367  1
  H  H255  1  0.275722  0.178460  0.513980  1
  H  H256  1  0.382010  0.818344  0.537367  1
  H  H257  1  0.412197  0.165067  0.525677  1
  H  H258  1  0.609056  0.845127  0.513980  1
  H  H259  1  0.775722  0.178460  0.513980  1
  H  H260  1  0.882010  0.818344  0.537367  1
  H  H261  1  0.912197  0.165067  0.525677  1
  H  H262  1  0.109056  0.845127  0.513980  1
  H  H263  1  0.215344  0.485010  0.537367  1
  H  H264  1  0.245530  0.831734  0.525677  1
  H  H265  1  0.442389  0.511793  0.513980  1
  H  H266  1  0.578864  0.498401  0.525677  1
  H  H267  1  0.715344  0.485010  0.537367  1
  H  H268  1  0.745530  0.831734  0.525677  1
  H  H269  1  0.942389  0.511793  0.513980  1
  H  H270  1  0.078864  0.498401  0.525677  1
  H  H271  1  0.532198  0.333684  0.524018  1
  H  H272  1  0.032198  0.333684  0.524018  1
  H  H273  1  0.168673  0.320295  0.535704  1
  H  H274  1  0.365531  1.000351  0.524018  1
  H  H275  1  0.305157  0.306904  0.547397  1
  H  H276  1  0.502007  0.986962  0.535704  1
  H  H277  1  0.668673  0.320295  0.535704  1
  H  H278  1  0.865531  1.000351  0.524018  1
  H  H279  1  0.805157  0.306904  0.547397  1
  H  H280  1  1.002007  0.986962  0.535704  1
  H  H281  1  0.198864  0.667018  0.524018  1
  H  H282  1  0.138490  0.973571  0.547397  1
  H  H283  1  0.335340  0.653629  0.535704  1
  H  H284  1  0.471824  0.640238  0.547397  1
  H  H285  1  0.698864  0.667018  0.524018  1
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  H  H339  1  0.534293  0.404493  0.607587  1
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  H  H342  1  0.897762  0.418063  0.595828  1
  H  H343  1  0.351107  0.253289  0.594127  1
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  H  H345  1  0.987591  0.239871  0.605807  1
  H  H346  1  0.184441  0.919955  0.594127  1
  H  H347  1  0.123894  0.226836  0.617590  1
  H  H348  1  0.320925  0.906538  0.605807  1
  H  H349  1  0.487591  0.239871  0.605807  1
  H  H350  1  0.684441  0.919955  0.594127  1
  H  H351  1  0.623894  0.226836  0.617590  1
  H  H352  1  0.820925  0.906538  0.605807  1
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  H  H354  1  0.957227  0.893502  0.617590  1
  H  H355  1  0.154258  0.573205  0.605807  1
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  H  H357  1  0.517774  0.586622  0.594127  1
  H  H358  1  0.457227  0.893502  0.617590  1
  H  H359  1  0.654258  0.573205  0.605807  1
  H  H360  1  0.790561  0.560169  0.617590  1
  H  H361  1  0.277514  0.030865  0.642544  1
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  H  H363  1  0.004068  0.057839  0.619265  1
  H  H364  1  0.110848  0.697531  0.642544  1
  H  H365  1  0.140684  0.044526  0.630810  1
  H  H366  1  0.337402  0.724506  0.619265  1
  H  H367  1  0.504068  0.057839  0.619265  1
  H  H368  1  0.610848  0.697531  0.642544  1
  H  H369  1  0.640684  0.044526  0.630810  1
  H  H370  1  0.837402  0.724506  0.619265  1
  H  H371  1  0.944181  0.364198  0.642544  1
  H  H372  1  0.974017  0.711193  0.630810  1
  H  H373  1  0.170735  0.391173  0.619265  1
  H  H374  1  0.307351  0.377860  0.630810  1
  H  H375  1  0.444181  0.364198  0.642544  1
  H  H376  1  0.474017  0.711193  0.630810  1
  H  H377  1  0.670735  0.391173  0.619265  1
  H  H378  1  0.807351  0.377860  0.630810  1
  H  H379  1  0.260234  0.213306  0.629105  1
  H  H380  1  0.760234  0.213306  0.629105  1
  H  H381  1  0.896852  0.199465  0.640690  1
  H  H382  1  0.093567  0.879972  0.629105  1
  H  H383  1  0.033240  0.186551  0.652419  1
  H  H384  1  0.230185  0.866132  0.640690  1
  H  H385  1  0.396852  0.199465  0.640690  1
  H  H386  1  0.593567  0.879972  0.629105  1
  H  H387  1  0.533240  0.186551  0.652419  1
  H  H388  1  0.730185  0.866132  0.640690  1
  H  H389  1  0.926900  0.546639  0.629105  1
  H  H390  1  0.866574  0.853218  0.652419  1
  H  H391  1  0.063519  0.532798  0.640690  1
  H  H392  1  0.199907  0.519884  0.652419  1
  H  H393  1  0.426900  0.546639  0.629105  1
  H  H394  1  0.366574  0.853218  0.652419  1
  H  H395  1  0.563519  0.532798  0.640690  1
  H  H396  1  0.699907  0.519884  0.652419  1
  H  H397  1  0.187677  0.991156  0.677278  1
  H  H398  1  0.687677  0.991156  0.677278  1
  H  H399  1  0.914086  0.017917  0.654618  1
  H  H400  1  0.021010  0.657822  0.677278  1
  H  H401  1  0.050845  0.004840  0.665955  1
  H  H402  1  0.247419  0.684583  0.654618  1
  H  H403  1  0.414086  0.017917  0.654618  1
  H  H404  1  0.521010  0.657822  0.677278  1
  H  H405  1  0.550845  0.004840  0.665955  1
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  H  H407  1  0.854343  0.324489  0.677278  1
  H  H408  1  0.884178  0.671507  0.665955  1
  H  H409  1  0.080752  0.351250  0.654618  1
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  H  H418  1  0.002621  0.839630  0.664103  1
  H  H419  1  0.941465  0.149524  0.687767  1
  H  H420  1  0.138457  0.826256  0.675421  1
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  H  H425  1  0.835954  0.506297  0.664103  1
  H  H426  1  0.774798  0.816191  0.687767  1
  H  H427  1  0.971790  0.492922  0.675421  1
  H  H428  1  0.108131  0.482857  0.687767  1
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  H  H431  1  0.471790  0.492922  0.675421  1
  H  H432  1  0.608131  0.482857  0.687767  1
  H  H433  1  0.105138  0.949241  0.713537  1
  H  H434  1  0.605138  0.949241  0.713537  1
  H  H435  1  0.824673  0.977243  0.689671  1
  H  H436  1  0.938471  0.615908  0.713537  1
  H  H437  1  0.965146  0.962713  0.701514  1
  H  H438  1  0.158006  0.643910  0.689671  1
  H  H439  1  0.324673  0.977243  0.689671  1
  H  H440  1  0.438471  0.615908  0.713537  1
  H  H441  1  0.465146  0.962713  0.701514  1
  H  H442  1  0.658006  0.643910  0.689671  1
  H  H443  1  0.771805  0.282575  0.713537  1
  H  H444  1  0.798479  0.629379  0.701514  1
  H  H445  1  0.991339  0.310577  0.689671  1
  H  H446  1  0.131813  0.296046  0.701514  1
  H  H447  1  0.271805  0.282575  0.713537  1
  H  H448  1  0.298479  0.629379  0.701514  1
  H  H449  1  0.491339  0.310577  0.689671  1
  H  H450  1  0.631813  0.296046  0.701514  1
  H  H451  1  0.077580  0.134680  0.700094  1
  H  H452  1  0.577580  0.134680  0.700094  1
  H  H453  1  0.717232  0.113055  0.711816  1
  H  H454  1  0.910914  0.801346  0.700094  1
  H  H455  1  0.859401  0.102864  0.722915  1
  H  H456  1  0.050565  0.779722  0.711816  1
  H  H457  1  0.217232  0.113055  0.711816  1
  H  H458  1  0.410914  0.801346  0.700094  1
  H  H459  1  0.359401  0.102864  0.722915  1
  H  H460  1  0.550565  0.779722  0.711816  1
  H  H461  1  0.744247  0.468013  0.700094  1
  H  H462  1  0.692734  0.769531  0.722915  1
  H  H463  1  0.883898  0.446388  0.711816  1
  H  H464  1  0.026067  0.436197  0.722915  1
  H  H465  1  0.244247  0.468013  0.700094  1
  H  H466  1  0.192734  0.769531  0.722915  1
  H  H467  1  0.383898  0.446388  0.711816  1
  H  H468  1  0.526067  0.436197  0.722915  1
