# generated using pymatgen
data_NiH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.58379860
_cell_length_b   7.66038523
_cell_length_c   46.57885514
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.29445695
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH3
_chemical_formula_sum   'Ni96 H288'
_cell_volume   3937.45508637
_cell_formula_units_Z   96
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
  Ni  Ni1  1  0.745647  0.977357  0.304660  1
  Ni  Ni2  1  0.416026  0.101437  0.296344  1
  Ni  Ni3  1  0.745647  0.477357  0.304660  1
  Ni  Ni4  1  0.158121  0.124050  0.323359  1
  Ni  Ni5  1  0.416026  0.601437  0.296344  1
  Ni  Ni6  1  0.158121  0.624050  0.323359  1
  Ni  Ni7  1  0.569713  0.286988  0.301349  1
  Ni  Ni8  1  0.355740  0.383991  0.330843  1
  Ni  Ni9  1  0.569713  0.786988  0.301349  1
  Ni  Ni10  1  0.909780  0.148066  0.307068  1
  Ni  Ni11  1  0.355740  0.883991  0.330843  1
  Ni  Ni12  1  0.909780  0.648066  0.307068  1
  Ni  Ni13  1  0.931275  0.215401  0.358332  1
  Ni  Ni14  1  0.537364  0.068679  0.341474  1
  Ni  Ni15  1  0.931275  0.715401  0.358332  1
  Ni  Ni16  1  0.306966  0.192827  0.371013  1
  Ni  Ni17  1  0.537364  0.568679  0.341474  1
  Ni  Ni18  1  0.306966  0.692827  0.371013  1
  Ni  Ni19  1  0.710228  0.246345  0.343015  1
  Ni  Ni20  1  0.487364  0.350967  0.378130  1
  Ni  Ni21  1  0.710228  0.746345  0.343015  1
  Ni  Ni22  1  0.089924  0.397170  0.356015  1
  Ni  Ni23  1  0.487364  0.850967  0.378130  1
  Ni  Ni24  1  0.089924  0.897170  0.356015  1
  Ni  Ni25  1  0.092303  0.314315  0.411553  1
  Ni  Ni26  1  0.709146  0.311314  0.397554  1
  Ni  Ni27  1  0.092303  0.814315  0.411553  1
  Ni  Ni28  1  0.479836  0.417556  0.432675  1
  Ni  Ni29  1  0.709146  0.811314  0.397554  1
  Ni  Ni30  1  0.479836  0.917556  0.432675  1
  Ni  Ni31  1  0.870932  0.488617  0.394290  1
  Ni  Ni32  1  0.646838  0.590015  0.432827  1
  Ni  Ni33  1  0.870932  0.988617  0.394290  1
  Ni  Ni34  1  0.255849  0.483087  0.409556  1
  Ni  Ni35  1  0.646838  0.090015  0.432827  1
  Ni  Ni36  1  0.255849  0.983087  0.409556  1
  Ni  Ni37  1  0.254207  0.522999  0.467024  1
  Ni  Ni38  1  0.868914  0.423678  0.450479  1
  Ni  Ni39  1  0.254207  0.022999  0.467024  1
  Ni  Ni40  1  0.639787  0.531985  0.487982  1
  Ni  Ni41  1  0.868914  0.923678  0.450479  1
  Ni  Ni42  1  0.639787  0.031985  0.487982  1
  Ni  Ni43  1  0.031046  0.596163  0.447730  1
  Ni  Ni44  1  0.802810  0.705852  0.486140  1
  Ni  Ni45  1  0.031046  0.096163  0.447730  1
  Ni  Ni46  1  0.419057  0.696927  0.467968  1
  Ni  Ni47  1  0.802810  0.205852  0.486140  1
  Ni  Ni48  1  0.419057  0.196927  0.467968  1
  Ni  Ni49  1  0.411333  0.637890  0.522793  1
  Ni  Ni50  1  0.027581  0.628965  0.504620  1
  Ni  Ni51  1  0.411333  0.137890  0.522793  1
  Ni  Ni52  1  0.799345  0.738654  0.543031  1
  Ni  Ni53  1  0.027581  0.128965  0.504620  1
  Ni  Ni54  1  0.799345  0.238654  0.543031  1
  Ni  Ni55  1  0.190604  0.802832  0.502778  1
  Ni  Ni56  1  0.961477  0.911139  0.540282  1
  Ni  Ni57  1  0.190604  0.302832  0.502778  1
  Ni  Ni58  1  0.576183  0.811818  0.523737  1
  Ni  Ni59  1  0.961477  0.411139  0.540282  1
  Ni  Ni60  1  0.576183  0.311818  0.523737  1
  Ni  Ni61  1  0.574542  0.851730  0.581204  1
  Ni  Ni62  1  0.183552  0.744802  0.557933  1
  Ni  Ni63  1  0.574542  0.351730  0.581204  1
  Ni  Ni64  1  0.959458  0.846200  0.596471  1
  Ni  Ni65  1  0.183552  0.244802  0.557933  1
  Ni  Ni66  1  0.959458  0.346200  0.596471  1
  Ni  Ni67  1  0.350554  0.917261  0.558086  1
  Ni  Ni68  1  0.121244  0.023503  0.593206  1
  Ni  Ni69  1  0.350554  0.417261  0.558086  1
  Ni  Ni70  1  0.738087  0.020502  0.579207  1
  Ni  Ni71  1  0.121244  0.523503  0.593206  1
  Ni  Ni72  1  0.738087  0.520502  0.579207  1
  Ni  Ni73  1  0.740467  0.937647  0.634746  1
  Ni  Ni74  1  0.343027  0.983850  0.612631  1
  Ni  Ni75  1  0.740467  0.437647  0.634746  1
  Ni  Ni76  1  0.120162  0.088472  0.647746  1
  Ni  Ni77  1  0.343027  0.483850  0.612631  1
  Ni  Ni78  1  0.120162  0.588472  0.647746  1
  Ni  Ni79  1  0.523425  0.141990  0.619747  1
  Ni  Ni80  1  0.293027  0.266138  0.649286  1
  Ni  Ni81  1  0.523425  0.641990  0.619747  1
  Ni  Ni82  1  0.899115  0.119416  0.632428  1
  Ni  Ni83  1  0.293027  0.766138  0.649286  1
  Ni  Ni84  1  0.899115  0.619416  0.632428  1
  Ni  Ni85  1  0.920610  0.186751  0.683693  1
  Ni  Ni86  1  0.474651  0.950826  0.659917  1
  Ni  Ni87  1  0.920610  0.686751  0.683693  1
  Ni  Ni88  1  0.260678  0.047829  0.689411  1
  Ni  Ni89  1  0.474651  0.450826  0.659917  1
  Ni  Ni90  1  0.260678  0.547829  0.689411  1
  Ni  Ni91  1  0.672270  0.210767  0.667402  1
  Ni  Ni92  1  0.414364  0.233380  0.694416  1
  Ni  Ni93  1  0.672270  0.710767  0.667402  1
  Ni  Ni94  1  0.084744  0.357460  0.686100  1
  Ni  Ni95  1  0.414364  0.733380  0.694416  1
  Ni  Ni96  1  0.084744  0.857460  0.686100  1
  H  H97  1  0.663289  0.152916  0.270139  1
  H  H98  1  0.143189  0.202367  0.287026  1
  H  H99  1  0.663289  0.652916  0.270139  1
  H  H100  1  0.850363  0.059559  0.274511  1
  H  H101  1  0.143189  0.702367  0.287026  1
  H  H102  1  0.850363  0.559559  0.274511  1
  H  H103  1  0.513853  0.952724  0.267178  1
  H  H104  1  0.285996  0.040779  0.302539  1
  H  H105  1  0.513853  0.452724  0.267178  1
  H  H106  1  0.904309  0.892281  0.295605  1
  H  H107  1  0.285996  0.540779  0.302539  1
  H  H108  1  0.904309  0.392281  0.295605  1
  H  H109  1  0.566975  0.026301  0.302949  1
  H  H110  1  0.354840  0.059714  0.262439  1
  H  H111  1  0.566975  0.526301  0.302949  1
  H  H112  1  0.739625  0.921959  0.266758  1
  H  H113  1  0.354840  0.559714  0.262439  1
  H  H114  1  0.739625  0.421959  0.266758  1
  H  H115  1  0.829810  0.082772  0.328941  1
  H  H116  1  0.496746  0.216025  0.266157  1
  H  H117  1  0.829810  0.582772  0.328941  1
  H  H118  1  0.061799  0.057783  0.288254  1
  H  H119  1  0.496746  0.716025  0.266157  1
  H  H120  1  0.061799  0.557783  0.288254  1
  H  H121  1  0.735088  0.242334  0.303896  1
  H  H122  1  0.319413  0.251922  0.270117  1
  H  H123  1  0.735088  0.742334  0.303896  1
  H  H124  1  0.183172  0.391416  0.315652  1
  H  H125  1  0.319413  0.751922  0.270117  1
  H  H126  1  0.183172  0.891416  0.315652  1
  H  H127  1  0.826278  0.313549  0.326737  1
  H  H128  1  0.421437  0.334337  0.298859  1
  H  H129  1  0.826278  0.813549  0.326737  1
  H  H130  1  0.938408  0.184435  0.271329  1
  H  H131  1  0.421437  0.834337  0.298859  1
  H  H132  1  0.938408  0.684435  0.271329  1
  H  H133  1  0.786825  0.365754  0.367391  1
  H  H134  1  0.424362  0.239768  0.355258  1
  H  H135  1  0.786825  0.865754  0.367391  1
  H  H136  1  0.011601  0.259532  0.327267  1
  H  H137  1  0.424362  0.739768  0.355258  1
  H  H138  1  0.011601  0.759532  0.327267  1
  H  H139  1  0.648563  0.113672  0.323671  1
  H  H140  1  0.467283  0.089839  0.375328  1
  H  H141  1  0.648563  0.613672  0.323671  1
  H  H142  1  0.083520  0.152377  0.353141  1
  H  H143  1  0.467283  0.589839  0.375328  1
  H  H144  1  0.083520  0.652377  0.353141  1
  H  H145  1  0.799867  0.150368  0.370918  1
  H  H146  1  0.363184  0.121785  0.329279  1
  H  H147  1  0.799867  0.650368  0.370918  1
  H  H148  1  0.023405  0.055478  0.328089  1
  H  H149  1  0.363184  0.621785  0.329279  1
  H  H150  1  0.023405  0.555478  0.328089  1
  H  H151  1  0.002055  0.314124  0.382023  1
  H  H152  1  0.624248  0.197236  0.369424  1
  H  H153  1  0.002055  0.814124  0.382023  1
  H  H154  1  0.222759  0.249748  0.340617  1
  H  H155  1  0.624248  0.697236  0.369424  1
  H  H156  1  0.222759  0.749748  0.340617  1
  H  H157  1  0.936366  0.466708  0.359377  1
  H  H158  1  0.529466  0.329968  0.337408  1
  H  H159  1  0.936366  0.966708  0.359377  1
  H  H160  1  0.331009  0.438708  0.371081  1
  H  H161  1  0.529466  0.829968  0.337408  1
  H  H162  1  0.331009  0.938708  0.371081  1
  H  H163  1  0.009420  0.513263  0.384112  1
  H  H164  1  0.619681  0.408158  0.365358  1
  H  H165  1  0.009420  0.013263  0.384112  1
  H  H166  1  0.219311  0.442476  0.346975  1
  H  H167  1  0.619681  0.908158  0.365358  1
  H  H168  1  0.219311  0.942476  0.346975  1
  H  H169  1  0.959851  0.495789  0.424016  1
  H  H170  1  0.568367  0.463247  0.405896  1
  H  H171  1  0.959851  0.995789  0.424016  1
  H  H172  1  0.183635  0.385961  0.385920  1
  H  H173  1  0.568367  0.963247  0.405896  1
  H  H174  1  0.183635  0.885961  0.385920  1
  H  H175  1  0.863524  0.247973  0.391979  1
  H  H176  1  0.637191  0.346836  0.430436  1
  H  H177  1  0.863524  0.747973  0.391979  1
  H  H178  1  0.252888  0.229454  0.406180  1
  H  H179  1  0.637191  0.846836  0.430436  1
  H  H180  1  0.252888  0.729454  0.406180  1
  H  H181  1  0.954276  0.296427  0.422165  1
  H  H182  1  0.571228  0.257747  0.408141  1
  H  H183  1  0.954276  0.796427  0.422165  1
  H  H184  1  0.170912  0.191066  0.384047  1
  H  H185  1  0.571228  0.757747  0.408141  1
  H  H186  1  0.170912  0.691066  0.384047  1
  H  H187  1  0.172239  0.433173  0.437899  1
  H  H188  1  0.781256  0.411752  0.421005  1
  H  H189  1  0.172239  0.933173  0.437899  1
  H  H190  1  0.390487  0.325370  0.403983  1
  H  H191  1  0.781256  0.911752  0.421005  1
  H  H192  1  0.390487  0.825370  0.403983  1
  H  H193  1  0.101573  0.557054  0.414471  1
  H  H194  1  0.713715  0.562664  0.399339  1
  H  H195  1  0.101573  0.057054  0.414471  1
  H  H196  1  0.487002  0.665304  0.434560  1
  H  H197  1  0.713715  0.062664  0.399339  1
  H  H198  1  0.487002  0.165304  0.434560  1
  H  H199  1  0.168793  0.638354  0.436242  1
  H  H200  1  0.787085  0.612189  0.423201  1
  H  H201  1  0.168793  0.138354  0.436242  1
  H  H202  1  0.384320  0.522509  0.399539  1
  H  H203  1  0.787085  0.112189  0.423201  1
  H  H204  1  0.384320  0.022509  0.399539  1
  H  H205  1  0.115192  0.681937  0.476185  1
  H  H206  1  0.732927  0.603620  0.462404  1
  H  H207  1  0.115192  0.181937  0.476185  1
  H  H208  1  0.341874  0.577022  0.439961  1
  H  H209  1  0.732927  0.103620  0.462404  1
  H  H210  1  0.341874  0.077022  0.439961  1
  H  H211  1  0.026361  0.344660  0.445858  1
  H  H212  1  0.798321  0.454506  0.484276  1
  H  H213  1  0.026361  0.844660  0.445858  1
  H  H214  1  0.409179  0.452355  0.465071  1
  H  H215  1  0.798321  0.954506  0.484276  1
  H  H216  1  0.409179  0.952355  0.465071  1
  H  H217  1  0.118341  0.477271  0.477655  1
  H  H218  1  0.727425  0.404183  0.460445  1
  H  H219  1  0.118341  0.977271  0.477655  1
  H  H220  1  0.345014  0.371273  0.441791  1
  H  H221  1  0.727425  0.904183  0.460445  1
  H  H222  1  0.345014  0.871273  0.441791  1
  H  H223  1  0.324478  0.624129  0.492160  1
  H  H224  1  0.944307  0.543701  0.476255  1
  H  H225  1  0.324478  0.124129  0.492160  1
  H  H226  1  0.551273  0.518695  0.457653  1
  H  H227  1  0.944307  0.043701  0.476255  1
  H  H228  1  0.551273  0.018695  0.457653  1
  H  H229  1  0.260780  0.772846  0.469423  1
  H  H230  1  0.875529  0.668767  0.452850  1
  H  H231  1  0.260780  0.272846  0.469423  1
  H  H232  1  0.647490  0.776737  0.490446  1
  H  H233  1  0.875529  0.168767  0.452850  1
  H  H234  1  0.647490  0.276737  0.490446  1
  H  H235  1  0.330185  0.824934  0.494280  1
  H  H236  1  0.941388  0.748721  0.474954  1
  H  H237  1  0.330185  0.324934  0.494280  1
  H  H238  1  0.557466  0.719056  0.459611  1
  H  H239  1  0.941388  0.248721  0.474954  1
  H  H240  1  0.557466  0.219056  0.459611  1
  H  H241  1  0.279117  0.816122  0.533107  1
  H  H242  1  0.886084  0.791116  0.514506  1
  H  H243  1  0.279117  0.316122  0.533107  1
  H  H244  1  0.505912  0.710688  0.498601  1
  H  H245  1  0.886084  0.291116  0.514506  1
  H  H246  1  0.505912  0.210688  0.498601  1
  H  H247  1  0.182901  0.558080  0.500315  1
  H  H248  1  0.954862  0.666050  0.537911  1
  H  H249  1  0.182901  0.058080  0.500315  1
  H  H250  1  0.569611  0.561971  0.521338  1
  H  H251  1  0.954862  0.166050  0.537911  1
  H  H252  1  0.569611  0.061971  0.521338  1
  H  H253  1  0.272925  0.615761  0.531149  1
  H  H254  1  0.889003  0.586096  0.515806  1
  H  H255  1  0.272925  0.115761  0.531149  1
  H  H256  1  0.500206  0.509883  0.496481  1
  H  H257  1  0.889003  0.086096  0.515806  1
  H  H258  1  0.500206  0.009883  0.496481  1
  H  H259  1  0.488517  0.757795  0.550800  1
  H  H260  1  0.097464  0.731197  0.528357  1
  H  H261  1  0.488517  0.257795  0.550800  1
  H  H262  1  0.715199  0.652880  0.514576  1
  H  H263  1  0.097464  0.231197  0.528357  1
  H  H264  1  0.715199  0.152880  0.514576  1
  H  H265  1  0.421211  0.882462  0.525689  1
  H  H266  1  0.032070  0.880311  0.506484  1
  H  H267  1  0.421211  0.382462  0.525689  1
  H  H268  1  0.804030  0.990157  0.544903  1
  H  H269  1  0.032070  0.380311  0.506484  1
  H  H270  1  0.804030  0.490157  0.544903  1
  H  H271  1  0.485377  0.963544  0.548969  1
  H  H272  1  0.102966  0.930634  0.530315  1
  H  H273  1  0.485377  0.463544  0.548969  1
  H  H274  1  0.712050  0.857546  0.513105  1
  H  H275  1  0.102966  0.430634  0.530315  1
  H  H276  1  0.712050  0.357546  0.513105  1
  H  H277  1  0.439904  0.009447  0.586778  1
  H  H278  1  0.049134  0.923065  0.569756  1
  H  H279  1  0.439904  0.509447  0.586778  1
  H  H280  1  0.658151  0.901644  0.552861  1
  H  H281  1  0.049134  0.423065  0.569756  1
  H  H282  1  0.658151  0.401644  0.552861  1
  H  H283  1  0.343388  0.669513  0.556201  1
  H  H284  1  0.116676  0.772153  0.591421  1
  H  H285  1  0.343388  0.169513  0.556201  1
  H  H286  1  0.728818  0.777763  0.576290  1
  H  H287  1  0.116676  0.272153  0.591421  1
  H  H288  1  0.728818  0.277763  0.576290  1
  H  H289  1  0.446070  0.812308  0.591222  1
  H  H290  1  0.043305  0.722628  0.567559  1
  H  H291  1  0.446070  0.312308  0.591222  1
  H  H292  1  0.661597  0.696463  0.554519  1
  H  H293  1  0.043305  0.222628  0.567559  1
  H  H294  1  0.661597  0.196463  0.554519  1
  H  H295  1  0.646756  0.948856  0.604841  1
  H  H296  1  0.262024  0.871570  0.584865  1
  H  H297  1  0.646756  0.448856  0.604841  1
  H  H298  1  0.870540  0.839028  0.566744  1
  H  H299  1  0.262024  0.371570  0.584865  1
  H  H300  1  0.870540  0.339028  0.566744  1
  H  H301  1  0.577502  0.105363  0.584580  1
  H  H302  1  0.193199  0.987981  0.560325  1
  H  H303  1  0.577502  0.605363  0.584580  1
  H  H304  1  0.966867  0.086844  0.598782  1
  H  H305  1  0.193199  0.487981  0.560325  1
  H  H306  1  0.966867  0.586844  0.598782  1
  H  H307  1  0.659479  0.143751  0.606713  1
  H  H308  1  0.259163  0.077070  0.582620  1
  H  H309  1  0.659479  0.643751  0.606713  1
  H  H310  1  0.876115  0.038390  0.568595  1
  H  H311  1  0.259163  0.577070  0.582620  1
  H  H312  1  0.876115  0.538390  0.568595  1
  H  H313  1  0.607631  0.085069  0.650144  1
  H  H314  1  0.206143  0.137581  0.621336  1
  H  H315  1  0.607631  0.585069  0.650144  1
  H  H316  1  0.828336  0.020693  0.608738  1
  H  H317  1  0.206143  0.637581  0.621336  1
  H  H318  1  0.828336  0.520693  0.608738  1
  H  H319  1  0.499382  0.896109  0.619679  1
  H  H320  1  0.300924  0.004849  0.653353  1
  H  H321  1  0.499382  0.396109  0.619679  1
  H  H322  1  0.894025  0.868109  0.631384  1
  H  H323  1  0.300924  0.504849  0.653353  1
  H  H324  1  0.894025  0.368109  0.631384  1
  H  H325  1  0.611079  0.892341  0.643785  1
  H  H326  1  0.210709  0.926659  0.625403  1
  H  H327  1  0.611079  0.392341  0.643785  1
  H  H328  1  0.820971  0.821554  0.606649  1
  H  H329  1  0.210709  0.426659  0.625403  1
  H  H330  1  0.820971  0.321554  0.606649  1
  H  H331  1  0.818790  0.075285  0.663493  1
  H  H332  1  0.406029  0.095049  0.635503  1
  H  H333  1  0.818790  0.575285  0.663493  1
  H  H334  1  0.043566  0.969063  0.623369  1
  H  H335  1  0.406029  0.595049  0.635503  1
  H  H336  1  0.043566  0.469063  0.623369  1
  H  H337  1  0.746870  0.182440  0.637619  1
  H  H338  1  0.363108  0.244978  0.615433  1
  H  H339  1  0.746870  0.682440  0.637619  1
  H  H340  1  0.181828  0.221145  0.667090  1
  H  H341  1  0.363108  0.744978  0.615433  1
  H  H342  1  0.181828  0.721145  0.667090  1
  H  H343  1  0.806985  0.279339  0.662672  1
  H  H344  1  0.467207  0.213032  0.661482  1
  H  H345  1  0.806985  0.779339  0.662672  1
  H  H346  1  0.030524  0.184449  0.619843  1
  H  H347  1  0.467207  0.713032  0.661482  1
  H  H348  1  0.030524  0.684449  0.619843  1
  H  H349  1  0.768592  0.277034  0.702507  1
  H  H350  1  0.333645  0.118792  0.724604  1
  H  H351  1  0.768592  0.777034  0.702507  1
  H  H352  1  0.000581  0.252045  0.661820  1
  H  H353  1  0.333645  0.618792  0.724604  1
  H  H354  1  0.000581  0.752045  0.661820  1
  H  H355  1  0.647218  0.943401  0.675109  1
  H  H356  1  0.510977  0.082895  0.720643  1
  H  H357  1  0.647218  0.443401  0.675109  1
  H  H358  1  0.095303  0.092483  0.686864  1
  H  H359  1  0.510977  0.582895  0.720643  1
  H  H360  1  0.095303  0.592483  0.686864  1
  H  H361  1  0.891983  0.150382  0.719432  1
  H  H362  1  0.408953  1.000480  0.691901  1
  H  H363  1  0.891983  0.650382  0.719432  1
  H  H364  1  0.004113  0.021268  0.664023  1
  H  H365  1  0.408953  0.500480  0.691901  1
  H  H366  1  0.004113  0.521268  0.664023  1
  H  H367  1  0.980028  0.275258  0.716250  1
  H  H368  1  0.687201  0.132450  0.703735  1
  H  H369  1  0.980028  0.775258  0.716250  1
  H  H370  1  0.167101  0.181901  0.720622  1
  H  H371  1  0.687201  0.632450  0.703735  1
  H  H372  1  0.167101  0.681901  0.720622  1
  H  H373  1  0.926082  0.442536  0.695156  1
  H  H374  1  0.544395  0.294038  0.688222  1
  H  H375  1  0.926082  0.942536  0.695156  1
  H  H376  1  0.316538  0.382093  0.723582  1
  H  H377  1  0.544395  0.794038  0.688222  1
  H  H378  1  0.316538  0.882093  0.723582  1
  H  H379  1  0.090766  0.412858  0.724003  1
  H  H380  1  0.475551  0.275103  0.728322  1
  H  H381  1  0.090766  0.912858  0.724003  1
  H  H382  1  0.263416  0.308516  0.687812  1
  H  H383  1  0.475551  0.775103  0.728322  1
  H  H384  1  0.263416  0.808516  0.687812  1
