# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88464764
_cell_length_b   7.88456044
_cell_length_c   46.23152555
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe28 Ni84'
_cell_volume   2816.00626932
_cell_formula_units_Z   28
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  0.573327  0.573554  0.346970  1
  Fe  Fe2  1  0.242700  0.242931  0.285862  1
  Fe  Fe3  1  0.161701  0.658139  0.316497  1
  Fe  Fe4  1  0.657912  0.161928  0.316497  1
  Fe  Fe5  1  0.407112  0.407337  0.409586  1
  Fe  Fe6  1  0.072942  0.073169  0.346045  1
  Fe  Fe7  1  0.990664  0.491994  0.378330  1
  Fe  Fe8  1  0.491768  0.990890  0.378330  1
  Fe  Fe9  1  0.240294  0.240517  0.471937  1
  Fe  Fe10  1  0.907214  0.907439  0.409399  1
  Fe  Fe11  1  0.824005  0.323930  0.440649  1
  Fe  Fe12  1  0.323706  0.824229  0.440649  1
  Fe  Fe13  1  0.073309  0.073530  0.534437  1
  Fe  Fe14  1  0.740315  0.740538  0.471997  1
  Fe  Fe15  1  0.656905  0.156947  0.503212  1
  Fe  Fe16  1  0.156725  0.657127  0.503212  1
  Fe  Fe17  1  0.906391  0.906610  0.597009  1
  Fe  Fe18  1  0.573329  0.573550  0.534499  1
  Fe  Fe19  1  0.489917  0.989865  0.565755  1
  Fe  Fe20  1  0.989645  0.490138  0.565755  1
  Fe  Fe21  1  0.740163  0.740381  0.660150  1
  Fe  Fe22  1  0.406500  0.406719  0.596825  1
  Fe  Fe23  1  0.321908  0.823501  0.628181  1
  Fe  Fe24  1  0.823283  0.322127  0.628181  1
  Fe  Fe25  1  0.571669  0.571883  0.720001  1
  Fe  Fe26  1  0.240114  0.240331  0.659314  1
  Fe  Fe27  1  0.157434  0.654104  0.690222  1
  Fe  Fe28  1  0.653887  0.157651  0.690222  1
  Ni  Ni29  1  0.906024  0.906251  0.313838  1
  Ni  Ni30  1  0.409724  0.409951  0.314972  1
  Ni  Ni31  1  0.500632  0.003383  0.284300  1
  Ni  Ni32  1  0.003152  0.500863  0.284300  1
  Ni  Ni33  1  0.865855  0.616589  0.331285  1
  Ni  Ni34  1  0.366852  0.115066  0.331813  1
  Ni  Ni35  1  0.451455  0.699806  0.299812  1
  Ni  Ni36  1  0.948150  0.198624  0.299254  1
  Ni  Ni37  1  0.616361  0.866083  0.331285  1
  Ni  Ni38  1  0.114838  0.367080  0.331813  1
  Ni  Ni39  1  0.198395  0.948379  0.299254  1
  Ni  Ni40  1  0.699577  0.451685  0.299812  1
  Ni  Ni41  1  0.740522  0.740748  0.378059  1
  Ni  Ni42  1  0.239915  0.240141  0.378126  1
  Ni  Ni43  1  0.326016  0.825787  0.346974  1
  Ni  Ni44  1  0.825560  0.326243  0.346974  1
  Ni  Ni45  1  0.699042  0.449415  0.393850  1
  Ni  Ni46  1  0.198661  0.949451  0.393518  1
  Ni  Ni47  1  0.283038  0.532278  0.362894  1
  Ni  Ni48  1  0.783402  0.031842  0.362438  1
  Ni  Ni49  1  0.449189  0.699267  0.393850  1
  Ni  Ni50  1  0.949225  0.198887  0.393518  1
  Ni  Ni51  1  0.031615  0.783629  0.362438  1
  Ni  Ni52  1  0.532052  0.283264  0.362894  1
  Ni  Ni53  1  0.573790  0.574014  0.440743  1
  Ni  Ni54  1  0.073817  0.074041  0.440583  1
  Ni  Ni55  1  0.157301  0.657937  0.409485  1
  Ni  Ni56  1  0.657712  0.157526  0.409485  1
  Ni  Ni57  1  0.532218  0.282169  0.456365  1
  Ni  Ni58  1  0.031996  0.782421  0.456324  1
  Ni  Ni59  1  0.115441  0.365688  0.425056  1
  Ni  Ni60  1  0.615753  0.865607  0.425121  1
  Ni  Ni61  1  0.281946  0.532441  0.456365  1
  Ni  Ni62  1  0.782198  0.032219  0.456324  1
  Ni  Ni63  1  0.865382  0.615978  0.425121  1
  Ni  Ni64  1  0.365464  0.115666  0.425056  1
  Ni  Ni65  1  0.406819  0.407041  0.503214  1
  Ni  Ni66  1  0.906818  0.907040  0.503214  1
  Ni  Ni67  1  0.990278  0.490532  0.471956  1
  Ni  Ni68  1  0.490309  0.990501  0.471956  1
  Ni  Ni69  1  0.365113  0.115204  0.518831  1
  Ni  Ni70  1  0.865034  0.615306  0.518869  1
  Ni  Ni71  1  0.948586  0.198752  0.487550  1
  Ni  Ni72  1  0.448508  0.698859  0.487589  1
  Ni  Ni73  1  0.114982  0.365335  0.518831  1
  Ni  Ni74  1  0.615085  0.865256  0.518869  1
  Ni  Ni75  1  0.698636  0.448730  0.487589  1
  Ni  Ni76  1  0.198530  0.948809  0.487550  1
  Ni  Ni77  1  0.239845  0.240065  0.565657  1
  Ni  Ni78  1  0.739810  0.740031  0.565812  1
  Ni  Ni79  1  0.823339  0.323528  0.534475  1
  Ni  Ni80  1  0.323307  0.823560  0.534475  1
  Ni  Ni81  1  0.197867  0.948497  0.581340  1
  Ni  Ni82  1  0.698212  0.448361  0.581408  1
  Ni  Ni83  1  0.781637  0.031686  0.550099  1
  Ni  Ni84  1  0.281419  0.531936  0.550059  1
  Ni  Ni85  1  0.948277  0.198086  0.581340  1
  Ni  Ni86  1  0.448141  0.698432  0.581408  1
  Ni  Ni87  1  0.531716  0.281640  0.550059  1
  Ni  Ni88  1  0.031465  0.781857  0.550100  1
  Ni  Ni89  1  0.072794  0.073012  0.628516  1
  Ni  Ni90  1  0.573332  0.573551  0.628419  1
  Ni  Ni91  1  0.656418  0.156219  0.596944  1
  Ni  Ni92  1  0.156000  0.656637  0.596944  1
  Ni  Ni93  1  0.030219  0.781987  0.643919  1
  Ni  Ni94  1  0.530682  0.281602  0.643487  1
  Ni  Ni95  1  0.614829  0.864447  0.612828  1
  Ni  Ni96  1  0.114571  0.364532  0.612519  1
  Ni  Ni97  1  0.781769  0.030437  0.643919  1
  Ni  Ni98  1  0.281385  0.530900  0.643487  1
  Ni  Ni99  1  0.364314  0.114790  0.612519  1
  Ni  Ni100  1  0.864228  0.615047  0.612828  1
  Ni  Ni101  1  0.906502  0.906719  0.691937  1
  Ni  Ni102  1  0.404365  0.404582  0.690955  1
  Ni  Ni103  1  0.488888  0.989701  0.659282  1
  Ni  Ni104  1  0.989484  0.489105  0.659282  1
  Ni  Ni105  1  0.865996  0.614683  0.706616  1
  Ni  Ni106  1  0.363728  0.115108  0.706081  1
  Ni  Ni107  1  0.445994  0.701234  0.674706  1
  Ni  Ni108  1  0.947531  0.199070  0.675387  1
  Ni  Ni109  1  0.614469  0.866211  0.706616  1
  Ni  Ni110  1  0.114894  0.363942  0.706081  1
  Ni  Ni111  1  0.198853  0.947748  0.675387  1
  Ni  Ni112  1  0.701018  0.446211  0.674705  1
