# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02191306
_cell_length_b   11.47261722
_cell_length_c   46.38299626
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.00681415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe99 Ni99'
_cell_volume   4658.40168793
_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  0.607887  0.371825  0.278469  1
  Fe  Fe2  1  0.941885  0.038322  0.278299  1
  Fe  Fe3  1  0.858681  0.320438  0.306274  1
  Fe  Fe4  1  0.236625  0.345799  0.291963  1
  Fe  Fe5  1  0.566481  0.016123  0.292482  1
  Fe  Fe6  1  0.899560  0.680263  0.292520  1
  Fe  Fe7  1  0.275386  0.706906  0.278300  1
  Fe  Fe8  1  0.192517  0.986600  0.306037  1
  Fe  Fe9  1  0.526855  0.654098  0.306099  1
  Fe  Fe10  1  0.480864  0.296885  0.320317  1
  Fe  Fe11  1  0.813914  0.964932  0.320857  1
  Fe  Fe12  1  0.726463  0.250403  0.348208  1
  Fe  Fe13  1  0.104337  0.273904  0.334655  1
  Fe  Fe14  1  0.437351  0.940765  0.334746  1
  Fe  Fe15  1  0.771154  0.606991  0.334578  1
  Fe  Fe16  1  0.146607  0.632167  0.320827  1
  Fe  Fe17  1  0.059996  0.916830  0.348137  1
  Fe  Fe18  1  0.393106  0.584237  0.348226  1
  Fe  Fe19  1  0.348827  0.227253  0.362087  1
  Fe  Fe20  1  0.682145  0.893986  0.362279  1
  Fe  Fe21  1  0.594141  0.180635  0.389946  1
  Fe  Fe22  1  0.971852  0.203851  0.376031  1
  Fe  Fe23  1  0.305173  0.870285  0.376006  1
  Fe  Fe24  1  0.638396  0.536924  0.375965  1
  Fe  Fe25  1  0.015576  0.560523  0.362052  1
  Fe  Fe26  1  0.927470  0.847181  0.389890  1
  Fe  Fe27  1  0.260940  0.513798  0.389780  1
  Fe  Fe28  1  0.216589  0.157243  0.403736  1
  Fe  Fe29  1  0.550037  0.823774  0.403760  1
  Fe  Fe30  1  0.461852  0.110582  0.431631  1
  Fe  Fe31  1  0.839527  0.133891  0.417727  1
  Fe  Fe32  1  0.172786  0.800422  0.417704  1
  Fe  Fe33  1  0.506083  0.466967  0.417602  1
  Fe  Fe34  1  0.883403  0.490364  0.403689  1
  Fe  Fe35  1  0.795278  0.777123  0.431587  1
  Fe  Fe36  1  0.128666  0.443793  0.431561  1
  Fe  Fe37  1  0.084557  0.087122  0.445463  1
  Fe  Fe38  1  0.417906  0.753705  0.445468  1
  Fe  Fe39  1  0.329707  0.040389  0.473273  1
  Fe  Fe40  1  0.707169  0.063764  0.459394  1
  Fe  Fe41  1  0.040508  0.730339  0.459364  1
  Fe  Fe42  1  0.373833  0.397033  0.459359  1
  Fe  Fe43  1  0.751222  0.420378  0.445445  1
  Fe  Fe44  1  0.663070  0.706996  0.473256  1
  Fe  Fe45  1  0.996405  0.373733  0.473271  1
  Fe  Fe46  1  0.952325  0.016999  0.487148  1
  Fe  Fe47  1  0.285662  0.683641  0.487149  1
  Fe  Fe48  1  0.197490  0.970267  0.514944  1
  Fe  Fe49  1  0.574916  0.993636  0.501052  1
  Fe  Fe50  1  0.908250  0.660307  0.501055  1
  Fe  Fe51  1  0.241566  0.327010  0.501061  1
  Fe  Fe52  1  0.619001  0.350371  0.487170  1
  Fe  Fe53  1  0.530820  0.636965  0.514947  1
  Fe  Fe54  1  0.864161  0.303663  0.514966  1
  Fe  Fe55  1  0.820094  0.946889  0.528830  1
  Fe  Fe56  1  0.153395  0.613623  0.528851  1
  Fe  Fe57  1  0.065261  0.900199  0.556657  1
  Fe  Fe58  1  0.442669  0.923545  0.542731  1
  Fe  Fe59  1  0.775997  0.590312  0.542767  1
  Fe  Fe60  1  0.109324  0.256901  0.542726  1
  Fe  Fe61  1  0.486764  0.280293  0.528844  1
  Fe  Fe62  1  0.398580  0.566959  0.556654  1
  Fe  Fe63  1  0.731915  0.233537  0.556632  1
  Fe  Fe64  1  0.687897  0.876766  0.570509  1
  Fe  Fe65  1  0.021128  0.543568  0.570558  1
  Fe  Fe66  1  0.933126  0.830195  0.598425  1
  Fe  Fe67  1  0.310373  0.853529  0.584464  1
  Fe  Fe68  1  0.643787  0.520342  0.584493  1
  Fe  Fe69  1  0.977003  0.186736  0.584366  1
  Fe  Fe70  1  0.354612  0.210101  0.570480  1
  Fe  Fe71  1  0.266347  0.496993  0.598391  1
  Fe  Fe72  1  0.599829  0.163442  0.598346  1
  Fe  Fe73  1  0.555627  0.806709  0.612229  1
  Fe  Fe74  1  0.888934  0.473508  0.612287  1
  Fe  Fe75  1  0.800911  0.760238  0.640160  1
  Fe  Fe76  1  0.178022  0.783543  0.626118  1
  Fe  Fe77  1  0.511394  0.450411  0.626128  1
  Fe  Fe78  1  0.844596  0.116812  0.626068  1
  Fe  Fe79  1  0.222398  0.139997  0.612118  1
  Fe  Fe80  1  0.134232  0.426827  0.639936  1
  Fe  Fe81  1  0.467646  0.093444  0.639913  1
  Fe  Fe82  1  0.423604  0.736276  0.653795  1
  Fe  Fe83  1  0.756709  0.403157  0.653854  1
  Fe  Fe84  1  0.669717  0.689627  0.681727  1
  Fe  Fe85  1  0.045126  0.713626  0.667606  1
  Fe  Fe86  1  0.378798  0.380013  0.667479  1
  Fe  Fe87  1  0.712242  0.046490  0.667409  1
  Fe  Fe88  1  0.090034  0.070304  0.653863  1
  Fe  Fe89  1  0.003212  0.355125  0.681182  1
  Fe  Fe90  1  0.335703  0.023561  0.681621  1
  Fe  Fe91  1  0.290710  0.666027  0.695835  1
  Fe  Fe92  1  0.623480  0.333129  0.696064  1
  Fe  Fe93  1  0.542044  0.614103  0.723650  1
  Fe  Fe94  1  0.914184  0.641709  0.710121  1
  Fe  Fe95  1  0.250495  0.305004  0.709612  1
  Fe  Fe96  1  0.580068  0.973193  0.710030  1
  Fe  Fe97  1  0.958352  1.000205  0.695899  1
  Fe  Fe98  1  0.874881  0.280970  0.723818  1
  Fe  Fe99  1  0.209575  0.949735  0.723643  1
  Ni  Ni100  1  0.334593  0.142447  0.313640  1
  Ni  Ni101  1  0.796786  0.882656  0.272989  1
  Ni  Ni102  1  0.713794  0.167316  0.299857  1
  Ni  Ni103  1  0.090126  0.190820  0.286546  1
  Ni  Ni104  1  0.427056  0.857961  0.286378  1
  Ni  Ni105  1  0.759728  0.522742  0.286302  1
  Ni  Ni106  1  0.131280  0.549994  0.272988  1
  Ni  Ni107  1  0.044028  0.834271  0.299486  1
  Ni  Ni108  1  0.377457  0.503351  0.299692  1
  Ni  Ni109  1  0.204427  0.071673  0.354944  1
  Ni  Ni110  1  0.668628  0.810825  0.313538  1
  Ni  Ni111  1  0.581801  0.095554  0.341428  1
  Ni  Ni112  1  0.959579  0.118574  0.327396  1
  Ni  Ni113  1  0.293088  0.785569  0.327268  1
  Ni  Ni114  1  0.625779  0.452231  0.327312  1
  Ni  Ni115  1  0.003697  0.475314  0.313254  1
  Ni  Ni116  1  0.914356  0.762790  0.341125  1
  Ni  Ni117  1  0.248388  0.429243  0.340919  1
  Ni  Ni118  1  0.072420  0.002027  0.396811  1
  Ni  Ni119  1  0.537984  0.738431  0.354966  1
  Ni  Ni120  1  0.449257  0.025829  0.383087  1
  Ni  Ni121  1  0.827201  0.049038  0.369190  1
  Ni  Ni122  1  0.160203  0.715804  0.369122  1
  Ni  Ni123  1  0.493452  0.381945  0.368861  1
  Ni  Ni124  1  0.871188  0.405041  0.354911  1
  Ni  Ni125  1  0.782877  0.692268  0.382991  1
  Ni  Ni126  1  0.116338  0.359172  0.382937  1
  Ni  Ni127  1  0.940000  0.932088  0.438516  1
  Ni  Ni128  1  0.405688  0.668757  0.396827  1
  Ni  Ni129  1  0.317274  0.955464  0.424661  1
  Ni  Ni130  1  0.694688  0.978957  0.410811  1
  Ni  Ni131  1  0.028102  0.645393  0.410732  1
  Ni  Ni132  1  0.361441  0.312183  0.410716  1
  Ni  Ni133  1  0.738842  0.335425  0.396782  1
  Ni  Ni134  1  0.650702  0.622030  0.424622  1
  Ni  Ni135  1  0.983995  0.288912  0.424633  1
  Ni  Ni136  1  0.807710  0.862004  0.480204  1
  Ni  Ni137  1  0.273334  0.598649  0.438486  1
  Ni  Ni138  1  0.185094  0.885370  0.466325  1
  Ni  Ni139  1  0.562465  0.908730  0.452424  1
  Ni  Ni140  1  0.895851  0.575325  0.452392  1
  Ni  Ni141  1  0.229147  0.242113  0.452410  1
  Ni  Ni142  1  0.606638  0.265459  0.438536  1
  Ni  Ni143  1  0.518446  0.551970  0.466291  1
  Ni  Ni144  1  0.851794  0.218778  0.466334  1
  Ni  Ni145  1  0.675470  0.791918  0.521892  1
  Ni  Ni146  1  0.141040  0.528673  0.480203  1
  Ni  Ni147  1  0.052863  0.815291  0.508010  1
  Ni  Ni148  1  0.430273  0.838641  0.494105  1
  Ni  Ni149  1  0.763612  0.505338  0.494104  1
  Ni  Ni150  1  0.096955  0.172004  0.494100  1
  Ni  Ni151  1  0.474347  0.195400  0.480224  1
  Ni  Ni152  1  0.386213  0.481992  0.508006  1
  Ni  Ni153  1  0.719538  0.148650  0.508006  1
  Ni  Ni154  1  0.543191  0.721901  0.563595  1
  Ni  Ni155  1  0.008771  0.458650  0.521914  1
  Ni  Ni156  1  0.920631  0.745270  0.549722  1
  Ni  Ni157  1  0.298025  0.768600  0.535803  1
  Ni  Ni158  1  0.631394  0.435346  0.535812  1
  Ni  Ni159  1  0.964712  0.101862  0.535766  1
  Ni  Ni160  1  0.342132  0.125249  0.521888  1
  Ni  Ni161  1  0.253978  0.411980  0.549704  1
  Ni  Ni162  1  0.587351  0.078524  0.549684  1
  Ni  Ni163  1  0.410946  0.651796  0.605302  1
  Ni  Ni164  1  0.876486  0.388600  0.563614  1
  Ni  Ni165  1  0.788369  0.675274  0.591433  1
  Ni  Ni166  1  0.165762  0.698522  0.577494  1
  Ni  Ni167  1  0.499158  0.365288  0.577457  1
  Ni  Ni168  1  0.832524  0.031739  0.577448  1
  Ni  Ni169  1  0.209851  0.055120  0.563563  1
  Ni  Ni170  1  0.121774  0.341814  0.591327  1
  Ni  Ni171  1  0.455120  0.008364  0.591343  1
  Ni  Ni172  1  0.278406  0.582143  0.647197  1
  Ni  Ni173  1  0.744032  0.318497  0.605270  1
  Ni  Ni174  1  0.656546  0.605225  0.633222  1
  Ni  Ni175  1  0.033412  0.628378  0.619194  1
  Ni  Ni176  1  0.367156  0.295031  0.619030  1
  Ni  Ni177  1  0.700378  0.961456  0.619087  1
  Ni  Ni178  1  0.077527  0.985159  0.605314  1
  Ni  Ni179  1  0.989450  0.271464  0.632888  1
  Ni  Ni180  1  0.322897  0.938613  0.633129  1
  Ni  Ni181  1  0.146617  0.510764  0.688827  1
  Ni  Ni182  1  0.611799  0.248811  0.647176  1
  Ni  Ni183  1  0.524024  0.534728  0.674793  1
  Ni  Ni184  1  0.901876  0.557899  0.661147  1
  Ni  Ni185  1  0.235060  0.224962  0.660636  1
  Ni  Ni186  1  0.567826  0.891759  0.660833  1
  Ni  Ni187  1  0.945257  0.915537  0.647249  1
  Ni  Ni188  1  0.856940  0.201770  0.674712  1
  Ni  Ni189  1  0.190973  0.868461  0.674685  1
  Ni  Ni190  1  0.019064  0.437335  0.729087  1
  Ni  Ni191  1  0.482023  0.177048  0.688500  1
  Ni  Ni192  1  0.390009  0.463581  0.715780  1
  Ni  Ni193  1  0.772921  0.483979  0.702385  1
  Ni  Ni194  1  0.103346  0.153389  0.702198  1
  Ni  Ni195  1  0.436852  0.817683  0.702027  1
  Ni  Ni196  1  0.813718  0.845815  0.688814  1
  Ni  Ni197  1  0.726267  0.128921  0.715537  1
  Ni  Ni198  1  0.060347  0.797695  0.715635  1
