# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.99561290
_cell_length_b   8.49331701
_cell_length_c   45.82877970
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   49.46069642
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe63 Ni63'
_cell_volume   3252.56484695
_cell_formula_units_Z   63
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  0.132228  0.742204  0.327033  1
  Fe  Fe2  1  0.798895  0.742204  0.327033  1
  Fe  Fe3  1  0.231175  0.211518  0.287134  1
  Fe  Fe4  1  0.465561  0.742204  0.327033  1
  Fe  Fe5  1  0.897842  0.211518  0.287134  1
  Fe  Fe6  1  0.181572  0.977317  0.307157  1
  Fe  Fe7  1  0.564508  0.211518  0.287134  1
  Fe  Fe8  1  0.848239  0.977317  0.307157  1
  Fe  Fe9  1  0.514905  0.977317  0.307157  1
  Fe  Fe10  1  0.999155  0.007822  0.390529  1
  Fe  Fe11  1  0.665821  0.007822  0.390529  1
  Fe  Fe12  1  0.088034  0.497126  0.348086  1
  Fe  Fe13  1  0.332488  0.007822  0.390529  1
  Fe  Fe14  1  0.754701  0.497126  0.348086  1
  Fe  Fe15  1  0.043533  0.252625  0.369384  1
  Fe  Fe16  1  0.421368  0.497126  0.348086  1
  Fe  Fe17  1  0.710200  0.252625  0.369384  1
  Fe  Fe18  1  0.376867  0.252625  0.369384  1
  Fe  Fe19  1  0.862891  0.279735  0.452797  1
  Fe  Fe20  1  0.529558  0.279735  0.452797  1
  Fe  Fe21  1  0.953828  0.764947  0.411181  1
  Fe  Fe22  1  0.196225  0.279735  0.452797  1
  Fe  Fe23  1  0.620494  0.764947  0.411181  1
  Fe  Fe24  1  0.908065  0.522930  0.431848  1
  Fe  Fe25  1  0.287161  0.764947  0.411181  1
  Fe  Fe26  1  0.574732  0.522930  0.431848  1
  Fe  Fe27  1  0.241399  0.522930  0.431848  1
  Fe  Fe28  1  0.727672  0.549565  0.515487  1
  Fe  Fe29  1  0.394339  0.549565  0.515487  1
  Fe  Fe30  1  0.817903  0.036176  0.473756  1
  Fe  Fe31  1  0.061005  0.549565  0.515487  1
  Fe  Fe32  1  0.484570  0.036176  0.473756  1
  Fe  Fe33  1  0.772824  0.792800  0.494631  1
  Fe  Fe34  1  0.151236  0.036176  0.473756  1
  Fe  Fe35  1  0.439490  0.792800  0.494631  1
  Fe  Fe36  1  0.106157  0.792800  0.494631  1
  Fe  Fe37  1  0.591875  0.820539  0.578063  1
  Fe  Fe38  1  0.258542  0.820539  0.578063  1
  Fe  Fe39  1  0.682498  0.306373  0.536384  1
  Fe  Fe40  1  0.925208  0.820539  0.578063  1
  Fe  Fe41  1  0.349165  0.306373  0.536384  1
  Fe  Fe42  1  0.637248  0.063339  0.557267  1
  Fe  Fe43  1  0.015831  0.306373  0.536384  1
  Fe  Fe44  1  0.303914  0.063339  0.557267  1
  Fe  Fe45  1  0.970581  0.063339  0.557267  1
  Fe  Fe46  1  0.457011  0.089661  0.641040  1
  Fe  Fe47  1  0.123678  0.089661  0.641040  1
  Fe  Fe48  1  0.546666  0.577412  0.598828  1
  Fe  Fe49  1  0.790344  0.089661  0.641040  1
  Fe  Fe50  1  0.213332  0.577412  0.598828  1
  Fe  Fe51  1  0.502143  0.332958  0.619941  1
  Fe  Fe52  1  0.879999  0.577412  0.598828  1
  Fe  Fe53  1  0.168810  0.332958  0.619941  1
  Fe  Fe54  1  0.835477  0.332958  0.619941  1
  Fe  Fe55  1  0.317950  0.367211  0.702717  1
  Fe  Fe56  1  0.984617  0.367211  0.702717  1
  Fe  Fe57  1  0.411827  0.846426  0.661544  1
  Fe  Fe58  1  0.651284  0.367211  0.702717  1
  Fe  Fe59  1  0.078494  0.846426  0.661544  1
  Fe  Fe60  1  0.365060  0.606559  0.682123  1
  Fe  Fe61  1  0.745161  0.846426  0.661544  1
  Fe  Fe62  1  0.031727  0.606559  0.682123  1
  Fe  Fe63  1  0.698393  0.606559  0.682123  1
  Ni  Ni64  1  0.944891  0.116925  0.338795  1
  Ni  Ni65  1  0.611558  0.116925  0.338795  1
  Ni  Ni66  1  0.037031  0.599497  0.296219  1
  Ni  Ni67  1  0.278224  0.116925  0.338795  1
  Ni  Ni68  1  0.703697  0.599497  0.296219  1
  Ni  Ni69  1  0.989462  0.361250  0.317142  1
  Ni  Ni70  1  0.370364  0.599497  0.296219  1
  Ni  Ni71  1  0.656129  0.361250  0.317142  1
  Ni  Ni72  1  0.322796  0.361250  0.317142  1
  Ni  Ni73  1  0.809300  0.387439  0.400474  1
  Ni  Ni74  1  0.475967  0.387439  0.400474  1
  Ni  Ni75  1  0.899822  0.873442  0.359236  1
  Ni  Ni76  1  0.142633  0.387439  0.400474  1
  Ni  Ni77  1  0.566489  0.873442  0.359236  1
  Ni  Ni78  1  0.854327  0.630917  0.379468  1
  Ni  Ni79  1  0.233155  0.873442  0.359236  1
  Ni  Ni80  1  0.520993  0.630917  0.379468  1
  Ni  Ni81  1  0.187660  0.630917  0.379468  1
  Ni  Ni82  1  0.673885  0.657652  0.463318  1
  Ni  Ni83  1  0.340552  0.657652  0.463318  1
  Ni  Ni84  1  0.764169  0.144151  0.421578  1
  Ni  Ni85  1  0.007218  0.657652  0.463318  1
  Ni  Ni86  1  0.430836  0.144151  0.421578  1
  Ni  Ni87  1  0.719069  0.900818  0.442538  1
  Ni  Ni88  1  0.097503  0.144151  0.421578  1
  Ni  Ni89  1  0.385736  0.900818  0.442538  1
  Ni  Ni90  1  0.052402  0.900818  0.442538  1
  Ni  Ni91  1  0.538334  0.928138  0.525913  1
  Ni  Ni92  1  0.205000  0.928138  0.525913  1
  Ni  Ni93  1  0.628654  0.414574  0.484131  1
  Ni  Ni94  1  0.871667  0.928138  0.525913  1
  Ni  Ni95  1  0.295321  0.414574  0.484131  1
  Ni  Ni96  1  0.583502  0.171338  0.505037  1
  Ni  Ni97  1  0.961987  0.414574  0.484131  1
  Ni  Ni98  1  0.250169  0.171338  0.505037  1
  Ni  Ni99  1  0.916835  0.171338  0.505037  1
  Ni  Ni100  1  0.402879  0.198442  0.588675  1
  Ni  Ni101  1  0.069546  0.198442  0.588675  1
  Ni  Ni102  1  0.493136  0.684995  0.546751  1
  Ni  Ni103  1  0.736213  0.198442  0.588675  1
  Ni  Ni104  1  0.159803  0.684995  0.546751  1
  Ni  Ni105  1  0.448048  0.441632  0.567693  1
  Ni  Ni106  1  0.826470  0.684995  0.546751  1
  Ni  Ni107  1  0.114715  0.441632  0.567693  1
  Ni  Ni108  1  0.781381  0.441632  0.567693  1
  Ni  Ni109  1  0.267276  0.469072  0.650789  1
  Ni  Ni110  1  0.933943  0.469072  0.650789  1
  Ni  Ni111  1  0.357617  0.955415  0.609484  1
  Ni  Ni112  1  0.600610  0.469072  0.650789  1
  Ni  Ni113  1  0.024284  0.955415  0.609484  1
  Ni  Ni114  1  0.312477  0.712138  0.630137  1
  Ni  Ni115  1  0.690950  0.955415  0.609484  1
  Ni  Ni116  1  0.979144  0.712138  0.630137  1
  Ni  Ni117  1  0.645810  0.712138  0.630137  1
  Ni  Ni118  1  0.131493  0.740104  0.713078  1
  Ni  Ni119  1  0.798160  0.740104  0.713078  1
  Ni  Ni120  1  0.222529  0.224992  0.672287  1
  Ni  Ni121  1  0.464827  0.740104  0.713078  1
  Ni  Ni122  1  0.889196  0.224992  0.672287  1
  Ni  Ni123  1  0.176392  0.983551  0.693125  1
  Ni  Ni124  1  0.555862  0.224992  0.672287  1
  Ni  Ni125  1  0.843059  0.983551  0.693125  1
  Ni  Ni126  1  0.509726  0.983551  0.693125  1
