# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.60132508
_cell_length_b   8.26827201
_cell_length_c   46.23170781
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   129.99307537
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe63 Ni63'
_cell_volume   3104.65143394
_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  0.867131  0.732353  0.296131  1
  Fe  Fe2  1  0.533798  0.732353  0.296131  1
  Fe  Fe3  1  0.584017  0.499409  0.317891  1
  Fe  Fe4  1  0.200464  0.732353  0.296131  1
  Fe  Fe5  1  0.250684  0.499409  0.317891  1
  Fe  Fe6  1  0.301916  0.268592  0.338994  1
  Fe  Fe7  1  0.917351  0.499409  0.317891  1
  Fe  Fe8  1  0.968583  0.268592  0.338994  1
  Fe  Fe9  1  0.635249  0.268592  0.338994  1
  Fe  Fe10  1  0.018282  0.034644  0.359401  1
  Fe  Fe11  1  0.684949  0.034644  0.359401  1
  Fe  Fe12  1  0.734753  0.800897  0.380065  1
  Fe  Fe13  1  0.351616  0.034644  0.359401  1
  Fe  Fe14  1  0.401420  0.800897  0.380065  1
  Fe  Fe15  1  0.450913  0.566535  0.400979  1
  Fe  Fe16  1  0.068086  0.800897  0.380065  1
  Fe  Fe17  1  0.117580  0.566535  0.400979  1
  Fe  Fe18  1  0.784246  0.566535  0.400979  1
  Fe  Fe19  1  0.167015  0.332064  0.421996  1
  Fe  Fe20  1  0.833681  0.332064  0.421996  1
  Fe  Fe21  1  0.883084  0.097530  0.442910  1
  Fe  Fe22  1  0.500348  0.332064  0.421996  1
  Fe  Fe23  1  0.549751  0.097530  0.442910  1
  Fe  Fe24  1  0.599274  0.863234  0.463727  1
  Fe  Fe25  1  0.216418  0.097530  0.442910  1
  Fe  Fe26  1  0.265941  0.863234  0.463727  1
  Fe  Fe27  1  0.932608  0.863234  0.463727  1
  Fe  Fe28  1  0.315489  0.628984  0.484558  1
  Fe  Fe29  1  0.982155  0.628984  0.484558  1
  Fe  Fe30  1  0.031670  0.394669  0.505429  1
  Fe  Fe31  1  0.648822  0.628984  0.484558  1
  Fe  Fe32  1  0.698337  0.394669  0.505429  1
  Fe  Fe33  1  0.747833  0.160317  0.526312  1
  Fe  Fe34  1  0.365003  0.394669  0.505429  1
  Fe  Fe35  1  0.414499  0.160317  0.526312  1
  Fe  Fe36  1  0.081166  0.160317  0.526312  1
  Fe  Fe37  1  0.463976  0.925928  0.547191  1
  Fe  Fe38  1  0.130643  0.925928  0.547191  1
  Fe  Fe39  1  0.180112  0.691523  0.568089  1
  Fe  Fe40  1  0.797309  0.925928  0.547191  1
  Fe  Fe41  1  0.846779  0.691523  0.568089  1
  Fe  Fe42  1  0.896334  0.457290  0.588953  1
  Fe  Fe43  1  0.513445  0.691523  0.568089  1
  Fe  Fe44  1  0.563001  0.457290  0.588953  1
  Fe  Fe45  1  0.229668  0.457290  0.588953  1
  Fe  Fe46  1  0.612492  0.222928  0.609793  1
  Fe  Fe47  1  0.279159  0.222928  0.609793  1
  Fe  Fe48  1  0.328698  0.988658  0.630606  1
  Fe  Fe49  1  0.945826  0.222928  0.609793  1
  Fe  Fe50  1  0.995364  0.988658  0.630606  1
  Fe  Fe51  1  0.045060  0.754725  0.651475  1
  Fe  Fe52  1  0.662031  0.988658  0.630606  1
  Fe  Fe53  1  0.711726  0.754725  0.651475  1
  Fe  Fe54  1  0.378393  0.754725  0.651475  1
  Fe  Fe55  1  0.761580  0.521086  0.672375  1
  Fe  Fe56  1  0.428246  0.521086  0.672375  1
  Fe  Fe57  1  0.480237  0.291571  0.693268  1
  Fe  Fe58  1  0.094913  0.521086  0.672375  1
  Fe  Fe59  1  0.146904  0.291571  0.693268  1
  Fe  Fe60  1  0.195388  0.055306  0.714591  1
  Fe  Fe61  1  0.813570  0.291571  0.693268  1
  Fe  Fe62  1  0.862055  0.055306  0.714591  1
  Fe  Fe63  1  0.528722  0.055306  0.714591  1
  Ni  Ni64  1  0.059677  0.117485  0.307293  1
  Ni  Ni65  1  0.726344  0.117485  0.307293  1
  Ni  Ni66  1  0.777475  0.886367  0.327690  1
  Ni  Ni67  1  0.393010  0.117485  0.307293  1
  Ni  Ni68  1  0.444141  0.886367  0.327690  1
  Ni  Ni69  1  0.339952  0.344553  0.287503  1
  Ni  Ni70  1  0.110808  0.886367  0.327690  1
  Ni  Ni71  1  0.006619  0.344553  0.287503  1
  Ni  Ni72  1  0.673285  0.344553  0.287503  1
  Ni  Ni73  1  0.210047  0.418152  0.369834  1
  Ni  Ni74  1  0.876713  0.418152  0.369834  1
  Ni  Ni75  1  0.925975  0.183337  0.390845  1
  Ni  Ni76  1  0.543380  0.418152  0.369834  1
  Ni  Ni77  1  0.592641  0.183337  0.390845  1
  Ni  Ni78  1  0.493941  0.652602  0.348656  1
  Ni  Ni79  1  0.259308  0.183337  0.390845  1
  Ni  Ni80  1  0.160607  0.652602  0.348656  1
  Ni  Ni81  1  0.827274  0.652602  0.348656  1
  Ni  Ni82  1  0.358383  0.714798  0.432344  1
  Ni  Ni83  1  0.025050  0.714798  0.432344  1
  Ni  Ni84  1  0.074606  0.480567  0.453228  1
  Ni  Ni85  1  0.691716  0.714798  0.432344  1
  Ni  Ni86  1  0.741273  0.480567  0.453228  1
  Ni  Ni87  1  0.642124  0.948960  0.411569  1
  Ni  Ni88  1  0.407940  0.480567  0.453228  1
  Ni  Ni89  1  0.308791  0.948960  0.411569  1
  Ni  Ni90  1  0.975457  0.948960  0.411569  1
  Ni  Ni91  1  0.506883  0.011767  0.495038  1
  Ni  Ni92  1  0.173549  0.011767  0.495038  1
  Ni  Ni93  1  0.223040  0.777406  0.515901  1
  Ni  Ni94  1  0.840216  0.011767  0.495038  1
  Ni  Ni95  1  0.889707  0.777406  0.515901  1
  Ni  Ni96  1  0.790755  0.246188  0.474147  1
  Ni  Ni97  1  0.556374  0.777406  0.515901  1
  Ni  Ni98  1  0.457422  0.246188  0.474147  1
  Ni  Ni99  1  0.124089  0.246188  0.474147  1
  Ni  Ni100  1  0.655424  0.308818  0.557616  1
  Ni  Ni101  1  0.322091  0.308818  0.557616  1
  Ni  Ni102  1  0.371591  0.074476  0.578468  1
  Ni  Ni103  1  0.988758  0.308818  0.557616  1
  Ni  Ni104  1  0.038258  0.074476  0.578468  1
  Ni  Ni105  1  0.939233  0.543112  0.536755  1
  Ni  Ni106  1  0.704925  0.074476  0.578468  1
  Ni  Ni107  1  0.605899  0.543112  0.536755  1
  Ni  Ni108  1  0.272566  0.543112  0.536755  1
  Ni  Ni109  1  0.803883  0.605708  0.620327  1
  Ni  Ni110  1  0.470550  0.605708  0.620327  1
  Ni  Ni111  1  0.520025  0.371314  0.641118  1
  Ni  Ni112  1  0.137216  0.605708  0.620327  1
  Ni  Ni113  1  0.186692  0.371314  0.641118  1
  Ni  Ni114  1  0.087714  0.840044  0.599338  1
  Ni  Ni115  1  0.853359  0.371314  0.641118  1
  Ni  Ni116  1  0.754381  0.840044  0.599338  1
  Ni  Ni117  1  0.421047  0.840044  0.599338  1
  Ni  Ni118  1  0.953595  0.905151  0.682851  1
  Ni  Ni119  1  0.620262  0.905151  0.682851  1
  Ni  Ni120  1  0.672301  0.676001  0.703121  1
  Ni  Ni121  1  0.286929  0.905151  0.682851  1
  Ni  Ni122  1  0.338968  0.676001  0.703121  1
  Ni  Ni123  1  0.236109  0.136784  0.661986  1
  Ni  Ni124  1  0.005634  0.676001  0.703121  1
  Ni  Ni125  1  0.902776  0.136784  0.661986  1
  Ni  Ni126  1  0.569443  0.136784  0.661986  1
