# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33438016
_cell_length_b   11.30414081
_cell_length_c   46.69990136
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.99900572
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe72 Ni72'
_cell_volume   3660.87086086
_cell_formula_units_Z   72
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  0.029821  0.203500  0.290529  1
  Fe  Fe2  1  0.522938  0.203433  0.290526  1
  Fe  Fe3  1  0.877445  0.496548  0.314384  1
  Fe  Fe4  1  0.952866  0.850177  0.302631  1
  Fe  Fe5  1  0.599520  0.557445  0.278925  1
  Fe  Fe6  1  0.453739  0.848571  0.302157  1
  Fe  Fe7  1  0.806381  0.143045  0.326577  1
  Fe  Fe8  1  0.306089  0.143595  0.326865  1
  Fe  Fe9  1  0.659027  0.437520  0.351104  1
  Fe  Fe10  1  0.734943  0.789873  0.339496  1
  Fe  Fe11  1  0.381851  0.496574  0.314370  1
  Fe  Fe12  1  0.230868  0.789897  0.339492  1
  Fe  Fe13  1  0.585326  0.084326  0.363554  1
  Fe  Fe14  1  0.085863  0.084316  0.363548  1
  Fe  Fe15  1  0.438842  0.377902  0.388684  1
  Fe  Fe16  1  0.512048  0.731327  0.376516  1
  Fe  Fe17  1  0.159436  0.436750  0.351911  1
  Fe  Fe18  1  0.012204  0.731013  0.376091  1
  Fe  Fe19  1  0.365196  0.024846  0.400854  1
  Fe  Fe20  1  0.865030  0.025181  0.400963  1
  Fe  Fe21  1  0.218181  0.318694  0.425667  1
  Fe  Fe22  1  0.291823  0.671963  0.413279  1
  Fe  Fe23  1  0.938588  0.377902  0.388685  1
  Fe  Fe24  1  0.791364  0.671964  0.413280  1
  Fe  Fe25  1  0.144458  0.965629  0.438118  1
  Fe  Fe26  1  0.644884  0.965629  0.438118  1
  Fe  Fe27  1  0.997798  0.259395  0.462721  1
  Fe  Fe28  1  0.071162  0.612558  0.450458  1
  Fe  Fe29  1  0.718255  0.318553  0.425643  1
  Fe  Fe30  1  0.571164  0.612548  0.450370  1
  Fe  Fe31  1  0.924197  0.906304  0.475160  1
  Fe  Fe32  1  0.424172  0.906356  0.475210  1
  Fe  Fe33  1  0.777198  0.200123  0.499904  1
  Fe  Fe34  1  0.850665  0.553158  0.487532  1
  Fe  Fe35  1  0.497596  0.259395  0.462722  1
  Fe  Fe36  1  0.350787  0.553157  0.487532  1
  Fe  Fe37  1  0.703699  0.847010  0.512247  1
  Fe  Fe38  1  0.203719  0.847010  0.512247  1
  Fe  Fe39  1  0.556802  0.140784  0.537052  1
  Fe  Fe40  1  0.630265  0.493808  0.524560  1
  Fe  Fe41  1  0.277231  0.200056  0.499881  1
  Fe  Fe42  1  0.130223  0.493892  0.524623  1
  Fe  Fe43  1  0.483260  0.787638  0.549424  1
  Fe  Fe44  1  0.983284  0.787589  0.549318  1
  Fe  Fe45  1  0.336192  0.081595  0.574062  1
  Fe  Fe46  1  0.409535  0.434547  0.561672  1
  Fe  Fe47  1  0.056663  0.140784  0.537051  1
  Fe  Fe48  1  0.909985  0.434546  0.561672  1
  Fe  Fe49  1  0.263132  0.728230  0.586501  1
  Fe  Fe50  1  0.762524  0.728233  0.586502  1
  Fe  Fe51  1  0.115653  0.022222  0.611101  1
  Fe  Fe52  1  0.189407  0.374986  0.598879  1
  Fe  Fe53  1  0.836246  0.081484  0.574134  1
  Fe  Fe54  1  0.689232  0.375331  0.598900  1
  Fe  Fe55  1  0.042196  0.669224  0.623703  1
  Fe  Fe56  1  0.542359  0.668895  0.623240  1
  Fe  Fe57  1  0.895028  0.963377  0.647852  1
  Fe  Fe58  1  0.968299  0.315877  0.636198  1
  Fe  Fe59  1  0.615829  0.022225  0.611101  1
  Fe  Fe60  1  0.469354  0.315870  0.636203  1
  Fe  Fe61  1  0.823244  0.610304  0.660316  1
  Fe  Fe62  1  0.319797  0.610296  0.660322  1
  Fe  Fe63  1  0.671456  0.903756  0.685408  1
  Fe  Fe64  1  0.748428  0.256403  0.673122  1
  Fe  Fe65  1  0.395412  0.962623  0.648770  1
  Fe  Fe66  1  0.248028  0.257180  0.672678  1
  Fe  Fe67  1  0.600590  0.551792  0.697653  1
  Fe  Fe68  1  0.102020  0.549108  0.697371  1
  Fe  Fe69  1  0.454819  0.842930  0.720720  1
  Fe  Fe70  1  0.533878  0.197295  0.709256  1
  Fe  Fe71  1  0.177958  0.903781  0.685393  1
  Fe  Fe72  1  0.021594  0.197376  0.709249  1
  Ni  Ni73  1  0.703430  0.349067  0.301638  1
  Ni  Ni74  1  0.201425  0.353153  0.302012  1
  Ni  Ni75  1  0.777406  0.704079  0.290023  1
  Ni  Ni76  1  0.629759  0.996061  0.314110  1
  Ni  Ni77  1  0.274699  0.704163  0.290022  1
  Ni  Ni78  1  0.350798  0.054843  0.278091  1
  Ni  Ni79  1  0.481931  0.291179  0.339297  1
  Ni  Ni80  1  0.982583  0.291178  0.339303  1
  Ni  Ni81  1  0.555143  0.645497  0.327418  1
  Ni  Ni82  1  0.409453  0.936697  0.351303  1
  Ni  Ni83  1  0.056837  0.642135  0.326490  1
  Ni  Ni84  1  0.130033  0.996071  0.314089  1
  Ni  Ni85  1  0.262300  0.230816  0.376265  1
  Ni  Ni86  1  0.762116  0.231197  0.376043  1
  Ni  Ni87  1  0.335903  0.583775  0.363844  1
  Ni  Ni88  1  0.188156  0.878493  0.388645  1
  Ni  Ni89  1  0.835837  0.583768  0.363848  1
  Ni  Ni90  1  0.908815  0.937966  0.351616  1
  Ni  Ni91  1  0.041864  0.171543  0.413223  1
  Ni  Ni92  1  0.541740  0.171547  0.413225  1
  Ni  Ni93  1  0.115033  0.525178  0.401064  1
  Ni  Ni94  1  0.968200  0.818662  0.425647  1
  Ni  Ni95  1  0.615298  0.524640  0.400856  1
  Ni  Ni96  1  0.688685  0.878492  0.388646  1
  Ni  Ni97  1  0.821148  0.112583  0.450435  1
  Ni  Ni98  1  0.321239  0.112400  0.450381  1
  Ni  Ni99  1  0.894575  0.465720  0.438065  1
  Ni  Ni100  1  0.747681  0.759363  0.462789  1
  Ni  Ni101  1  0.394677  0.465718  0.438064  1
  Ni  Ni102  1  0.467998  0.819063  0.425790  1
  Ni  Ni103  1  0.600690  0.053309  0.487554  1
  Ni  Ni104  1  0.100610  0.053309  0.487553  1
  Ni  Ni105  1  0.674236  0.406229  0.475108  1
  Ni  Ni106  1  0.527207  0.700104  0.499894  1
  Ni  Ni107  1  0.174208  0.406282  0.475148  1
  Ni  Ni108  1  0.247745  0.759363  0.462789  1
  Ni  Ni109  1  0.380226  0.993886  0.524647  1
  Ni  Ni110  1  0.880215  0.993909  0.524640  1
  Ni  Ni111  1  0.453729  0.346875  0.512227  1
  Ni  Ni112  1  0.306771  0.640804  0.536993  1
  Ni  Ni113  1  0.953824  0.346875  0.512226  1
  Ni  Ni114  1  0.027222  0.700076  0.499888  1
  Ni  Ni115  1  0.159811  0.934453  0.561713  1
  Ni  Ni116  1  0.659803  0.934452  0.561713  1
  Ni  Ni117  1  0.233248  0.287664  0.549357  1
  Ni  Ni118  1  0.086235  0.581504  0.574149  1
  Ni  Ni119  1  0.733198  0.287761  0.549393  1
  Ni  Ni120  1  0.806672  0.640805  0.536993  1
  Ni  Ni121  1  0.939438  0.874921  0.598708  1
  Ni  Ni122  1  0.439057  0.875685  0.598949  1
  Ni  Ni123  1  0.012586  0.228596  0.586545  1
  Ni  Ni124  1  0.866245  0.521740  0.611145  1
  Ni  Ni125  1  0.512705  0.228598  0.586546  1
  Ni  Ni126  1  0.586439  0.581100  0.573980  1
  Ni  Ni127  1  0.718501  0.816392  0.635950  1
  Ni  Ni128  1  0.218639  0.816380  0.635947  1
  Ni  Ni129  1  0.792105  0.169405  0.623578  1
  Ni  Ni130  1  0.644960  0.463505  0.648423  1
  Ni  Ni131  1  0.292474  0.168667  0.623575  1
  Ni  Ni132  1  0.365720  0.521739  0.611147  1
  Ni  Ni133  1  0.499396  0.754456  0.672338  1
  Ni  Ni134  1  0.997628  0.757978  0.673354  1
  Ni  Ni135  1  0.572049  0.108996  0.660491  1
  Ni  Ni136  1  0.425904  0.404075  0.685660  1
  Ni  Ni137  1  0.072292  0.109014  0.660487  1
  Ni  Ni138  1  0.145478  0.462496  0.648255  1
  Ni  Ni139  1  0.275648  0.696312  0.709773  1
  Ni  Ni140  1  0.780898  0.696216  0.709770  1
  Ni  Ni141  1  0.350043  0.052948  0.698361  1
  Ni  Ni142  1  0.205763  0.341073  0.721397  1
  Ni  Ni143  1  0.853710  0.045687  0.697657  1
  Ni  Ni144  1  0.923174  0.404130  0.685646  1
