# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34832468
_cell_length_b   11.30787589
_cell_length_c   47.75712150
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.20214609
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe99 Ni99'
_cell_volume   4880.95055994
_cell_formula_units_Z   99
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  0.548000  0.089036  0.306077  1
  Fe  Fe2  1  0.881487  0.755326  0.306282  1
  Fe  Fe3  1  0.925708  0.114627  0.292892  1
  Fe  Fe4  1  0.297293  0.141981  0.279575  1
  Fe  Fe5  1  0.630460  0.808816  0.279487  1
  Fe  Fe6  1  0.962887  0.474849  0.280094  1
  Fe  Fe7  1  0.212931  0.421913  0.306263  1
  Fe  Fe8  1  0.258267  0.781396  0.293096  1
  Fe  Fe9  1  0.594741  0.448261  0.292782  1
  Fe  Fe10  1  0.418042  0.010902  0.347955  1
  Fe  Fe11  1  0.751042  0.677647  0.348120  1
  Fe  Fe12  1  0.796512  0.035654  0.334387  1
  Fe  Fe13  1  0.171441  0.062442  0.320604  1
  Fe  Fe14  1  0.504380  0.729112  0.320717  1
  Fe  Fe15  1  0.838282  0.395932  0.320401  1
  Fe  Fe16  1  0.084182  0.344106  0.347875  1
  Fe  Fe17  1  0.130535  0.702020  0.334508  1
  Fe  Fe18  1  0.463932  0.368704  0.334403  1
  Fe  Fe19  1  0.288388  0.932248  0.389891  1
  Fe  Fe20  1  0.621777  0.598847  0.389874  1
  Fe  Fe21  1  0.665956  0.957861  0.376043  1
  Fe  Fe22  1  0.041580  0.984224  0.361979  1
  Fe  Fe23  1  0.374862  0.650808  0.361912  1
  Fe  Fe24  1  0.708473  0.317543  0.361789  1
  Fe  Fe25  1  0.955088  0.265449  0.389829  1
  Fe  Fe26  1  0.999396  0.624492  0.376181  1
  Fe  Fe27  1  0.332679  0.291072  0.376025  1
  Fe  Fe28  1  0.158842  0.853532  0.431646  1
  Fe  Fe29  1  0.492172  0.520138  0.431598  1
  Fe  Fe30  1  0.535563  0.879539  0.417767  1
  Fe  Fe31  1  0.911962  0.905851  0.403725  1
  Fe  Fe32  1  0.245310  0.572395  0.403691  1
  Fe  Fe33  1  0.578634  0.239104  0.403653  1
  Fe  Fe34  1  0.825443  0.186818  0.431607  1
  Fe  Fe35  1  0.868952  0.546145  0.417711  1
  Fe  Fe36  1  0.202335  0.212801  0.417727  1
  Fe  Fe37  1  0.029000  0.774957  0.473384  1
  Fe  Fe38  1  0.362321  0.441598  0.473338  1
  Fe  Fe39  1  0.405579  0.801087  0.459445  1
  Fe  Fe40  1  0.782137  0.827341  0.445526  1
  Fe  Fe41  1  0.115479  0.493954  0.445458  1
  Fe  Fe42  1  0.448835  0.160645  0.445477  1
  Fe  Fe43  1  0.695641  0.108288  0.473356  1
  Fe  Fe44  1  0.738915  0.467723  0.459399  1
  Fe  Fe45  1  0.072243  0.134426  0.459437  1
  Fe  Fe46  1  0.899097  0.696438  0.515092  1
  Fe  Fe47  1  0.232446  0.363081  0.515083  1
  Fe  Fe48  1  0.275708  0.722626  0.501182  1
  Fe  Fe49  1  0.652279  0.748824  0.487256  1
  Fe  Fe50  1  0.985625  0.415463  0.487230  1
  Fe  Fe51  1  0.318949  0.082166  0.487255  1
  Fe  Fe52  1  0.565769  0.029777  0.515113  1
  Fe  Fe53  1  0.609026  0.389276  0.501155  1
  Fe  Fe54  1  0.942367  0.055967  0.501188  1
  Fe  Fe55  1  0.769251  0.617916  0.556845  1
  Fe  Fe56  1  0.102570  0.284582  0.556837  1
  Fe  Fe57  1  0.145840  0.644173  0.542926  1
  Fe  Fe58  1  0.522380  0.670302  0.528973  1
  Fe  Fe59  1  0.855720  0.336963  0.528964  1
  Fe  Fe60  1  0.189070  0.003653  0.529011  1
  Fe  Fe61  1  0.435897  0.951293  0.556900  1
  Fe  Fe62  1  0.479164  0.310823  0.542907  1
  Fe  Fe63  1  0.812495  0.977511  0.542945  1
  Fe  Fe64  1  0.639410  0.539440  0.598637  1
  Fe  Fe65  1  0.972741  0.206087  0.598679  1
  Fe  Fe66  1  0.015830  0.565738  0.584602  1
  Fe  Fe67  1  0.392533  0.591735  0.570715  1
  Fe  Fe68  1  0.725899  0.258416  0.570719  1
  Fe  Fe69  1  0.059252  0.925123  0.570747  1
  Fe  Fe70  1  0.306094  0.872848  0.598696  1
  Fe  Fe71  1  0.349125  0.232431  0.584598  1
  Fe  Fe72  1  0.682381  0.899143  0.584631  1
  Fe  Fe73  1  0.509973  0.461067  0.640440  1
  Fe  Fe74  1  0.843090  0.127651  0.640527  1
  Fe  Fe75  1  0.885230  0.487453  0.626176  1
  Fe  Fe76  1  0.263023  0.512974  0.612437  1
  Fe  Fe77  1  0.596387  0.179709  0.612485  1
  Fe  Fe78  1  0.929637  0.846416  0.612439  1
  Fe  Fe79  1  0.176542  0.794341  0.640572  1
  Fe  Fe80  1  0.218632  0.154188  0.626339  1
  Fe  Fe81  1  0.551845  0.820864  0.626187  1
  Fe  Fe82  1  0.380757  0.382762  0.681687  1
  Fe  Fe83  1  0.713546  0.049344  0.681931  1
  Fe  Fe84  1  0.753919  0.410019  0.667916  1
  Fe  Fe85  1  0.133666  0.434192  0.654230  1
  Fe  Fe86  1  0.467176  0.101039  0.654486  1
  Fe  Fe87  1  0.800774  0.767619  0.654307  1
  Fe  Fe88  1  0.047038  0.716034  0.681861  1
  Fe  Fe89  1  0.087435  0.076581  0.667978  1
  Fe  Fe90  1  0.420038  0.743425  0.667891  1
  Fe  Fe91  1  0.255051  0.303138  0.722818  1
  Fe  Fe92  1  0.588511  0.970115  0.722217  1
  Fe  Fe93  1  0.625987  0.331093  0.709315  1
  Fe  Fe94  1  0.003095  0.356484  0.696161  1
  Fe  Fe95  1  0.338192  0.023080  0.696185  1
  Fe  Fe96  1  0.671573  0.690224  0.695976  1
  Fe  Fe97  1  0.922511  0.637173  0.722266  1
  Fe  Fe98  1  0.956390  0.998413  0.709229  1
  Fe  Fe99  1  0.289233  0.664610  0.709406  1
  Ni  Ni100  1  0.444867  0.297092  0.285765  1
  Ni  Ni101  1  0.779690  0.961684  0.285701  1
  Ni  Ni102  1  0.693996  0.241817  0.312925  1
  Ni  Ni103  1  0.067737  0.268835  0.299298  1
  Ni  Ni104  1  0.401711  0.935998  0.299378  1
  Ni  Ni105  1  0.734588  0.603997  0.299565  1
  Ni  Ni106  1  0.112370  0.628923  0.285699  1
  Ni  Ni107  1  0.155771  0.986123  0.272433  1
  Ni  Ni108  1  0.486696  0.654956  0.272464  1
  Ni  Ni109  1  0.316474  0.217222  0.327448  1
  Ni  Ni110  1  0.649767  0.883808  0.327442  1
  Ni  Ni111  1  0.564331  0.163133  0.354878  1
  Ni  Ni112  1  0.940013  0.190168  0.341209  1
  Ni  Ni113  1  0.273266  0.857173  0.341298  1
  Ni  Ni114  1  0.606597  0.523796  0.341270  1
  Ni  Ni115  1  0.983079  0.551148  0.327751  1
  Ni  Ni116  1  0.026597  0.908271  0.313248  1
  Ni  Ni117  1  0.360478  0.574061  0.313062  1
  Ni  Ni118  1  0.186652  0.138302  0.369026  1
  Ni  Ni119  1  0.519820  0.805054  0.369101  1
  Ni  Ni120  1  0.433962  0.085200  0.396766  1
  Ni  Ni121  1  0.810297  0.111951  0.382913  1
  Ni  Ni122  1  0.143755  0.778595  0.382991  1
  Ni  Ni123  1  0.477159  0.445147  0.382913  1
  Ni  Ni124  1  0.853282  0.471532  0.369000  1
  Ni  Ni125  1  0.897638  0.829753  0.354989  1
  Ni  Ni126  1  0.230996  0.496164  0.354949  1
  Ni  Ni127  1  0.056916  0.059465  0.410719  1
  Ni  Ni128  1  0.390243  0.726080  0.410705  1
  Ni  Ni129  1  0.303889  0.007000  0.438581  1
  Ni  Ni130  1  0.680473  0.033312  0.424667  1
  Ni  Ni131  1  0.013840  0.700037  0.424719  1
  Ni  Ni132  1  0.347193  0.366598  0.424645  1
  Ni  Ni133  1  0.723615  0.392670  0.410643  1
  Ni  Ni134  1  0.767210  0.752013  0.396842  1
  Ni  Ni135  1  0.100615  0.418381  0.396736  1
  Ni  Ni136  1  0.927198  0.980855  0.452472  1
  Ni  Ni137  1  0.260542  0.647488  0.452453  1
  Ni  Ni138  1  0.173982  0.928558  0.480326  1
  Ni  Ni139  1  0.550563  0.954785  0.466419  1
  Ni  Ni140  1  0.883926  0.621391  0.466392  1
  Ni  Ni141  1  0.217261  0.288081  0.466386  1
  Ni  Ni142  1  0.593860  0.314151  0.452427  1
  Ni  Ni143  1  0.637233  0.673641  0.438571  1
  Ni  Ni144  1  0.970564  0.340262  0.438537  1
  Ni  Ni145  1  0.797350  0.902382  0.494234  1
  Ni  Ni146  1  0.130705  0.568988  0.494202  1
  Ni  Ni147  1  0.044092  0.850061  0.522062  1
  Ni  Ni148  1  0.420686  0.876279  0.508157  1
  Ni  Ni149  1  0.754029  0.542892  0.508118  1
  Ni  Ni150  1  0.087366  0.209565  0.508131  1
  Ni  Ni151  1  0.464032  0.235667  0.494202  1
  Ni  Ni152  1  0.507316  0.595177  0.480291  1
  Ni  Ni153  1  0.840630  0.261857  0.480289  1
  Ni  Ni154  1  0.667455  0.823851  0.535959  1
  Ni  Ni155  1  1.000819  0.490494  0.535931  1
  Ni  Ni156  1  0.914157  0.771606  0.563774  1
  Ni  Ni157  1  0.290862  0.797776  0.549915  1
  Ni  Ni158  1  0.624179  0.464415  0.549878  1
  Ni  Ni159  1  0.957517  0.131106  0.549908  1
  Ni  Ni160  1  0.334154  0.157149  0.535949  1
  Ni  Ni161  1  0.377413  0.516692  0.522028  1
  Ni  Ni162  1  0.710752  0.183367  0.522040  1
  Ni  Ni163  1  0.537519  0.745231  0.577646  1
  Ni  Ni164  1  0.870895  0.411872  0.577634  1
  Ni  Ni165  1  0.784105  0.693414  0.605535  1
  Ni  Ni166  1  0.161188  0.719225  0.591689  1
  Ni  Ni167  1  0.494521  0.385807  0.591645  1
  Ni  Ni168  1  0.827808  0.052555  0.591686  1
  Ni  Ni169  1  0.204213  0.078653  0.577708  1
  Ni  Ni170  1  0.247503  0.438240  0.563756  1
  Ni  Ni171  1  0.580833  0.104959  0.563792  1
  Ni  Ni172  1  0.407568  0.666662  0.619391  1
  Ni  Ni173  1  0.741035  0.333257  0.619406  1
  Ni  Ni174  1  0.653481  0.615876  0.647364  1
  Ni  Ni175  1  0.031656  0.640302  0.633296  1
  Ni  Ni176  1  0.364993  0.306830  0.633289  1
  Ni  Ni177  1  0.698170  0.973657  0.633355  1
  Ni  Ni178  1  0.074352  0.999991  0.619453  1
  Ni  Ni179  1  0.117447  0.359940  0.605517  1
  Ni  Ni180  1  0.450711  0.026902  0.605622  1
  Ni  Ni181  1  0.278255  0.587834  0.661020  1
  Ni  Ni182  1  0.611543  0.254812  0.661071  1
  Ni  Ni183  1  0.523898  0.538275  0.689275  1
  Ni  Ni184  1  0.901756  0.560849  0.674602  1
  Ni  Ni185  1  0.235099  0.228136  0.674920  1
  Ni  Ni186  1  0.568341  0.894099  0.674593  1
  Ni  Ni187  1  0.944917  0.921387  0.660971  1
  Ni  Ni188  1  0.986807  0.282315  0.647433  1
  Ni  Ni189  1  0.320200  0.949116  0.647465  1
  Ni  Ni190  1  0.150233  0.507899  0.702726  1
  Ni  Ni191  1  0.484117  0.176244  0.703026  1
  Ni  Ni192  1  0.396608  0.458879  0.729818  1
  Ni  Ni193  1  0.772137  0.484227  0.716582  1
  Ni  Ni194  1  0.106396  0.149601  0.716498  1
  Ni  Ni195  1  0.440047  0.815189  0.716502  1
  Ni  Ni196  1  0.817547  0.842120  0.702778  1
  Ni  Ni197  1  0.857183  0.204114  0.689281  1
  Ni  Ni198  1  0.190070  0.871234  0.689482  1
