# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98564907
_cell_length_b   12.71049728
_cell_length_c   47.52378529
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe54 Ni162'
_cell_volume   5548.48648679
_cell_formula_units_Z   54
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
  Fe  Fe1  1  0.272787  0.085932  0.305971  1
  Fe  Fe2  1  0.772787  0.085932  0.305971  1
  Fe  Fe3  1  0.705000  0.450468  0.290546  1
  Fe  Fe4  1  0.840068  0.720542  0.321387  1
  Fe  Fe5  1  0.205000  0.450468  0.290546  1
  Fe  Fe6  1  0.340068  0.720542  0.321387  1
  Fe  Fe7  1  0.976746  0.993941  0.352018  1
  Fe  Fe8  1  0.476746  0.993941  0.352018  1
  Fe  Fe9  1  0.408755  0.357956  0.336234  1
  Fe  Fe10  1  0.545442  0.631379  0.368377  1
  Fe  Fe11  1  0.908755  0.357956  0.336234  1
  Fe  Fe12  1  0.045442  0.631379  0.368377  1
  Fe  Fe13  1  0.681324  0.903196  0.400255  1
  Fe  Fe14  1  0.181324  0.903196  0.400255  1
  Fe  Fe15  1  0.113231  0.266979  0.384551  1
  Fe  Fe16  1  0.249339  0.539264  0.416097  1
  Fe  Fe17  1  0.613231  0.266979  0.384551  1
  Fe  Fe18  1  0.749339  0.539264  0.416097  1
  Fe  Fe19  1  0.385826  0.812295  0.447742  1
  Fe  Fe20  1  0.885826  0.812295  0.447742  1
  Fe  Fe21  1  0.817583  0.175780  0.431808  1
  Fe  Fe22  1  0.953911  0.448499  0.463665  1
  Fe  Fe23  1  0.317583  0.175780  0.431808  1
  Fe  Fe24  1  0.453911  0.448499  0.463665  1
  Fe  Fe25  1  0.090149  0.721035  0.495354  1
  Fe  Fe26  1  0.590149  0.721035  0.495354  1
  Fe  Fe27  1  0.522101  0.084905  0.479564  1
  Fe  Fe28  1  0.658305  0.357380  0.511297  1
  Fe  Fe29  1  0.022101  0.084905  0.479564  1
  Fe  Fe30  1  0.158305  0.357380  0.511297  1
  Fe  Fe31  1  0.794410  0.629653  0.542957  1
  Fe  Fe32  1  0.294410  0.629653  0.542957  1
  Fe  Fe33  1  0.226515  0.993826  0.527086  1
  Fe  Fe34  1  0.362916  0.266689  0.559125  1
  Fe  Fe35  1  0.726515  0.993826  0.527086  1
  Fe  Fe36  1  0.862916  0.266689  0.559125  1
  Fe  Fe37  1  0.498896  0.538718  0.590535  1
  Fe  Fe38  1  0.998896  0.538718  0.590535  1
  Fe  Fe39  1  0.931008  0.902903  0.574617  1
  Fe  Fe40  1  0.067172  0.175303  0.606441  1
  Fe  Fe41  1  0.431008  0.902903  0.574617  1
  Fe  Fe42  1  0.567172  0.175303  0.606441  1
  Fe  Fe43  1  0.203817  0.448650  0.639239  1
  Fe  Fe44  1  0.703817  0.448650  0.639239  1
  Fe  Fe45  1  0.634986  0.810953  0.621870  1
  Fe  Fe46  1  0.771631  0.084312  0.654584  1
  Fe  Fe47  1  0.134986  0.810953  0.621870  1
  Fe  Fe48  1  0.271631  0.084312  0.654584  1
  Fe  Fe49  1  0.907404  0.355933  0.685089  1
  Fe  Fe50  1  0.407404  0.355933  0.685089  1
  Fe  Fe51  1  0.339976  0.720992  0.668877  1
  Fe  Fe52  1  0.473808  0.988715  0.700545  1
  Fe  Fe53  1  0.839976  0.720992  0.668877  1
  Fe  Fe54  1  0.973808  0.988715  0.700545  1
  Ni  Ni55  1  0.740171  0.267790  0.296453  1
  Ni  Ni56  1  0.240171  0.267790  0.296453  1
  Ni  Ni57  1  0.875675  0.540359  0.329078  1
  Ni  Ni58  1  0.307653  0.903089  0.312222  1
  Ni  Ni59  1  0.375675  0.540359  0.329078  1
  Ni  Ni60  1  0.807653  0.903089  0.312222  1
  Ni  Ni61  1  0.521741  0.083839  0.304411  1
  Ni  Ni62  1  0.021741  0.083839  0.304411  1
  Ni  Ni63  1  0.955581  0.451624  0.289211  1
  Ni  Ni64  1  0.089356  0.719121  0.320146  1
  Ni  Ni65  1  0.455581  0.451624  0.289211  1
  Ni  Ni66  1  0.589356  0.719121  0.320146  1
  Ni  Ni67  1  0.487240  0.267782  0.296450  1
  Ni  Ni68  1  0.987240  0.267782  0.296450  1
  Ni  Ni69  1  0.624252  0.540349  0.329082  1
  Ni  Ni70  1  0.055098  0.903074  0.312223  1
  Ni  Ni71  1  0.124252  0.540349  0.329082  1
  Ni  Ni72  1  0.555098  0.903074  0.312223  1
  Ni  Ni73  1  0.443838  0.176632  0.344797  1
  Ni  Ni74  1  0.943838  0.176632  0.344797  1
  Ni  Ni75  1  0.578823  0.448795  0.376276  1
  Ni  Ni76  1  0.011799  0.812940  0.360450  1
  Ni  Ni77  1  0.078823  0.448795  0.376276  1
  Ni  Ni78  1  0.511799  0.812940  0.360450  1
  Ni  Ni79  1  0.226484  0.993421  0.352720  1
  Ni  Ni80  1  0.726484  0.993421  0.352720  1
  Ni  Ni81  1  0.657993  0.356437  0.337131  1
  Ni  Ni82  1  0.795191  0.630875  0.368891  1
  Ni  Ni83  1  0.157993  0.356437  0.337131  1
  Ni  Ni84  1  0.295191  0.630875  0.368891  1
  Ni  Ni85  1  0.192368  0.176618  0.344800  1
  Ni  Ni86  1  0.692368  0.176618  0.344800  1
  Ni  Ni87  1  0.329455  0.448799  0.376274  1
  Ni  Ni88  1  0.760678  0.812930  0.360451  1
  Ni  Ni89  1  0.829455  0.448799  0.376274  1
  Ni  Ni90  1  0.260678  0.812930  0.360451  1
  Ni  Ni91  1  0.146866  0.084771  0.392094  1
  Ni  Ni92  1  0.646866  0.084771  0.392094  1
  Ni  Ni93  1  0.283762  0.357739  0.424014  1
  Ni  Ni94  1  0.715361  0.721463  0.408156  1
  Ni  Ni95  1  0.783762  0.357739  0.424014  1
  Ni  Ni96  1  0.215361  0.721463  0.408156  1
  Ni  Ni97  1  0.931380  0.903307  0.399978  1
  Ni  Ni98  1  0.431380  0.903307  0.399978  1
  Ni  Ni99  1  0.363345  0.267206  0.384163  1
  Ni  Ni100  1  0.499503  0.539593  0.415979  1
  Ni  Ni101  1  0.863345  0.267206  0.384163  1
  Ni  Ni102  1  0.999503  0.539593  0.415979  1
  Ni  Ni103  1  0.897363  0.084777  0.392092  1
  Ni  Ni104  1  0.397363  0.084777  0.392092  1
  Ni  Ni105  1  0.033382  0.357737  0.424015  1
  Ni  Ni106  1  0.465531  0.721466  0.408155  1
  Ni  Ni107  1  0.533382  0.357737  0.424015  1
  Ni  Ni108  1  0.965531  0.721466  0.408155  1
  Ni  Ni109  1  0.851844  0.994104  0.439828  1
  Ni  Ni110  1  0.351844  0.994104  0.439828  1
  Ni  Ni111  1  0.987862  0.266610  0.471599  1
  Ni  Ni112  1  0.419814  0.630313  0.455702  1
  Ni  Ni113  1  0.487862  0.266610  0.471599  1
  Ni  Ni114  1  0.919814  0.630313  0.455702  1
  Ni  Ni115  1  0.635792  0.812227  0.447808  1
  Ni  Ni116  1  0.135792  0.812227  0.447808  1
  Ni  Ni117  1  0.067547  0.175710  0.431961  1
  Ni  Ni118  1  0.203848  0.448373  0.463686  1
  Ni  Ni119  1  0.567547  0.175710  0.431961  1
  Ni  Ni120  1  0.703848  0.448373  0.463686  1
  Ni  Ni121  1  0.601635  0.994101  0.439829  1
  Ni  Ni122  1  0.101635  0.994101  0.439829  1
  Ni  Ni123  1  0.738055  0.266612  0.471598  1
  Ni  Ni124  1  0.169839  0.630312  0.455702  1
  Ni  Ni125  1  0.238055  0.266612  0.471598  1
  Ni  Ni126  1  0.669839  0.630312  0.455702  1
  Ni  Ni127  1  0.556116  0.902982  0.487431  1
  Ni  Ni128  1  0.056116  0.902982  0.487431  1
  Ni  Ni129  1  0.692602  0.175782  0.519287  1
  Ni  Ni130  1  0.124185  0.539142  0.503310  1
  Ni  Ni131  1  0.192602  0.175782  0.519287  1
  Ni  Ni132  1  0.624185  0.539142  0.503310  1
  Ni  Ni133  1  0.340142  0.721021  0.495349  1
  Ni  Ni134  1  0.840142  0.721021  0.495349  1
  Ni  Ni135  1  0.772109  0.084920  0.479497  1
  Ni  Ni136  1  0.908314  0.357399  0.511346  1
  Ni  Ni137  1  0.272109  0.084920  0.479497  1
  Ni  Ni138  1  0.408314  0.357399  0.511346  1
  Ni  Ni139  1  0.306145  0.902983  0.487431  1
  Ni  Ni140  1  0.806145  0.902983  0.487431  1
  Ni  Ni141  1  0.442400  0.175781  0.519287  1
  Ni  Ni142  1  0.874202  0.539142  0.503310  1
  Ni  Ni143  1  0.942400  0.175781  0.519287  1
  Ni  Ni144  1  0.374202  0.539142  0.503310  1
  Ni  Ni145  1  0.260553  0.811798  0.534981  1
  Ni  Ni146  1  0.760553  0.811798  0.534981  1
  Ni  Ni147  1  0.396784  0.084709  0.566814  1
  Ni  Ni148  1  0.828465  0.448040  0.551011  1
  Ni  Ni149  1  0.896784  0.084709  0.566814  1
  Ni  Ni150  1  0.328465  0.448040  0.551011  1
  Ni  Ni151  1  0.044459  0.629752  0.542910  1
  Ni  Ni152  1  0.544459  0.629752  0.542910  1
  Ni  Ni153  1  0.476545  0.993886  0.527102  1
  Ni  Ni154  1  0.612927  0.266709  0.558994  1
  Ni  Ni155  1  0.976545  0.993886  0.527102  1
  Ni  Ni156  1  0.112927  0.266709  0.558994  1
  Ni  Ni157  1  0.010432  0.811798  0.534981  1
  Ni  Ni158  1  0.510432  0.811798  0.534981  1
  Ni  Ni159  1  0.147048  0.084711  0.566813  1
  Ni  Ni160  1  0.578725  0.448044  0.551010  1
  Ni  Ni161  1  0.647048  0.084711  0.566813  1
  Ni  Ni162  1  0.078725  0.448044  0.551010  1
  Ni  Ni163  1  0.964634  0.720418  0.582443  1
  Ni  Ni164  1  0.464634  0.720418  0.582443  1
  Ni  Ni165  1  0.101781  0.993758  0.614388  1
  Ni  Ni166  1  0.533631  0.357581  0.598974  1
  Ni  Ni167  1  0.601781  0.993758  0.614388  1
  Ni  Ni168  1  0.033631  0.357581  0.598974  1
  Ni  Ni169  1  0.748745  0.538419  0.590836  1
  Ni  Ni170  1  0.248745  0.538419  0.590836  1
  Ni  Ni171  1  0.180935  0.902755  0.574578  1
  Ni  Ni172  1  0.317227  0.175413  0.606743  1
  Ni  Ni173  1  0.680935  0.902755  0.574578  1
  Ni  Ni174  1  0.817227  0.175413  0.606743  1
  Ni  Ni175  1  0.714877  0.720417  0.582444  1
  Ni  Ni176  1  0.214877  0.720417  0.582444  1
  Ni  Ni177  1  0.851015  0.993755  0.614390  1
  Ni  Ni178  1  0.283021  0.357574  0.598976  1
  Ni  Ni179  1  0.351015  0.993755  0.614390  1
  Ni  Ni180  1  0.783021  0.357574  0.598976  1
  Ni  Ni181  1  0.668547  0.628876  0.630141  1
  Ni  Ni182  1  0.168547  0.628876  0.630141  1
  Ni  Ni183  1  0.804129  0.901637  0.661403  1
  Ni  Ni184  1  0.236215  0.265425  0.646255  1
  Ni  Ni185  1  0.304129  0.901637  0.661403  1
  Ni  Ni186  1  0.736215  0.265425  0.646255  1
  Ni  Ni187  1  0.454096  0.449198  0.638431  1
  Ni  Ni188  1  0.954096  0.449198  0.638431  1
  Ni  Ni189  1  0.885279  0.811538  0.621835  1
  Ni  Ni190  1  0.021681  0.084408  0.653960  1
  Ni  Ni191  1  0.385279  0.811538  0.621835  1
  Ni  Ni192  1  0.521681  0.084408  0.653960  1
  Ni  Ni193  1  0.419328  0.628886  0.630140  1
  Ni  Ni194  1  0.919328  0.628886  0.630140  1
  Ni  Ni195  1  0.556452  0.901642  0.661402  1
  Ni  Ni196  1  0.988160  0.265435  0.646254  1
  Ni  Ni197  1  0.056452  0.901642  0.661402  1
  Ni  Ni198  1  0.488160  0.265435  0.646254  1
  Ni  Ni199  1  0.373385  0.540505  0.679401  1
  Ni  Ni200  1  0.873385  0.540505  0.679401  1
  Ni  Ni201  1  0.504025  0.804829  0.709066  1
  Ni  Ni202  1  0.939668  0.172875  0.694542  1
  Ni  Ni203  1  0.004025  0.804829  0.709066  1
  Ni  Ni204  1  0.439668  0.172875  0.694542  1
  Ni  Ni205  1  0.158592  0.358315  0.686718  1
  Ni  Ni206  1  0.658592  0.358315  0.686718  1
  Ni  Ni207  1  0.589745  0.720522  0.669282  1
  Ni  Ni208  1  0.724743  0.990596  0.701994  1
  Ni  Ni209  1  0.089745  0.720522  0.669282  1
  Ni  Ni210  1  0.224743  0.990596  0.701994  1
  Ni  Ni211  1  0.126020  0.540521  0.679400  1
  Ni  Ni212  1  0.626020  0.540521  0.679400  1
  Ni  Ni213  1  0.259799  0.804867  0.709068  1
  Ni  Ni214  1  0.692060  0.172887  0.694541  1
  Ni  Ni215  1  0.759799  0.804867  0.709068  1
  Ni  Ni216  1  0.192060  0.172887  0.694541  1
