# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06619719
_cell_length_b   11.47945626
_cell_length_c   45.25985101
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.95343833
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe72 Ni72'
_cell_volume   3492.53712948
_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  0.283217  0.397586  0.307546  1
  Fe  Fe2  1  0.783217  0.397586  0.307546  1
  Fe  Fe3  1  0.710495  0.752160  0.295405  1
  Fe  Fe4  1  0.135437  0.102153  0.283037  1
  Fe  Fe5  1  0.210495  0.752160  0.295405  1
  Fe  Fe6  1  0.635437  0.102153  0.283037  1
  Fe  Fe7  1  0.006639  0.344440  0.345479  1
  Fe  Fe8  1  0.506639  0.344440  0.345479  1
  Fe  Fe9  1  0.432279  0.695725  0.333216  1
  Fe  Fe10  1  0.857234  0.045634  0.320538  1
  Fe  Fe11  1  0.932279  0.695725  0.333216  1
  Fe  Fe12  1  0.357234  0.045634  0.320538  1
  Fe  Fe13  1  0.730284  0.291724  0.382283  1
  Fe  Fe14  1  0.230284  0.291724  0.382283  1
  Fe  Fe15  1  0.155444  0.642045  0.369862  1
  Fe  Fe16  1  0.581029  0.993215  0.357629  1
  Fe  Fe17  1  0.655444  0.642045  0.369862  1
  Fe  Fe18  1  0.081029  0.993215  0.357629  1
  Fe  Fe19  1  0.453940  0.239029  0.419277  1
  Fe  Fe20  1  0.953940  0.239029  0.419277  1
  Fe  Fe21  1  0.879204  0.589556  0.406828  1
  Fe  Fe22  1  0.304840  0.940831  0.394686  1
  Fe  Fe23  1  0.379204  0.589556  0.406828  1
  Fe  Fe24  1  0.804840  0.940831  0.394686  1
  Fe  Fe25  1  0.177649  0.186442  0.456377  1
  Fe  Fe26  1  0.677649  0.186442  0.456377  1
  Fe  Fe27  1  0.602997  0.537139  0.443980  1
  Fe  Fe28  1  0.028534  0.888215  0.431716  1
  Fe  Fe29  1  0.102997  0.537139  0.443980  1
  Fe  Fe30  1  0.528534  0.888215  0.431716  1
  Fe  Fe31  1  0.901353  0.133844  0.493451  1
  Fe  Fe32  1  0.401353  0.133844  0.493451  1
  Fe  Fe33  1  0.326728  0.484596  0.481060  1
  Fe  Fe34  1  0.752159  0.835460  0.468701  1
  Fe  Fe35  1  0.826728  0.484596  0.481060  1
  Fe  Fe36  1  0.252159  0.835460  0.468701  1
  Fe  Fe37  1  0.625025  0.081183  0.530477  1
  Fe  Fe38  1  0.125025  0.081183  0.530477  1
  Fe  Fe39  1  0.050456  0.432047  0.518118  1
  Fe  Fe40  1  0.475831  0.782798  0.505727  1
  Fe  Fe41  1  0.550456  0.432047  0.518118  1
  Fe  Fe42  1  0.975831  0.782798  0.505727  1
  Fe  Fe43  1  0.348650  0.028427  0.567462  1
  Fe  Fe44  1  0.848650  0.028427  0.567462  1
  Fe  Fe45  1  0.774187  0.379504  0.555198  1
  Fe  Fe46  1  0.199535  0.730201  0.542801  1
  Fe  Fe47  1  0.274187  0.379504  0.555198  1
  Fe  Fe48  1  0.699535  0.730201  0.542801  1
  Fe  Fe49  1  0.072345  0.975812  0.604492  1
  Fe  Fe50  1  0.572345  0.975812  0.604492  1
  Fe  Fe51  1  0.497981  0.327087  0.592350  1
  Fe  Fe52  1  0.923244  0.677614  0.579901  1
  Fe  Fe53  1  0.997981  0.327087  0.592350  1
  Fe  Fe54  1  0.423244  0.677614  0.579901  1
  Fe  Fe55  1  0.796155  0.923428  0.641550  1
  Fe  Fe56  1  0.296155  0.923428  0.641550  1
  Fe  Fe57  1  0.221741  0.274598  0.629316  1
  Fe  Fe58  1  0.646901  0.624919  0.616895  1
  Fe  Fe59  1  0.721741  0.274598  0.629316  1
  Fe  Fe60  1  0.146901  0.624919  0.616895  1
  Fe  Fe61  1  0.519950  0.871009  0.678640  1
  Fe  Fe62  1  0.019950  0.871009  0.678640  1
  Fe  Fe63  1  0.944905  0.220918  0.665962  1
  Fe  Fe64  1  0.370545  0.572203  0.653699  1
  Fe  Fe65  1  0.444905  0.220918  0.665962  1
  Fe  Fe66  1  0.870545  0.572203  0.653699  1
  Fe  Fe67  1  0.241748  0.814490  0.716141  1
  Fe  Fe68  1  0.741748  0.814490  0.716141  1
  Fe  Fe69  1  0.666689  0.164483  0.703773  1
  Fe  Fe70  1  0.093968  0.519057  0.691633  1
  Fe  Fe71  1  0.166689  0.164483  0.703773  1
  Fe  Fe72  1  0.593968  0.519057  0.691633  1
  Ni  Ni73  1  0.959045  0.249261  0.296451  1
  Ni  Ni74  1  0.459045  0.249261  0.296451  1
  Ni  Ni75  1  0.385576  0.602395  0.284448  1
  Ni  Ni76  1  0.533580  0.898295  0.308478  1
  Ni  Ni77  1  0.885576  0.602395  0.284448  1
  Ni  Ni78  1  0.033580  0.898295  0.308478  1
  Ni  Ni79  1  0.682053  0.195266  0.332913  1
  Ni  Ni80  1  0.182053  0.195266  0.332913  1
  Ni  Ni81  1  0.108016  0.547208  0.320091  1
  Ni  Ni82  1  0.256408  0.843966  0.345323  1
  Ni  Ni83  1  0.608016  0.547208  0.320091  1
  Ni  Ni84  1  0.756408  0.843966  0.345323  1
  Ni  Ni85  1  0.405518  0.142192  0.369816  1
  Ni  Ni86  1  0.905518  0.142192  0.369816  1
  Ni  Ni87  1  0.830966  0.493093  0.357148  1
  Ni  Ni88  1  0.980268  0.791688  0.382398  1
  Ni  Ni89  1  0.330966  0.493093  0.357148  1
  Ni  Ni90  1  0.480268  0.791688  0.382398  1
  Ni  Ni91  1  0.129410  0.089969  0.406971  1
  Ni  Ni92  1  0.629410  0.089969  0.406971  1
  Ni  Ni93  1  0.554840  0.440834  0.394577  1
  Ni  Ni94  1  0.703840  0.738828  0.419315  1
  Ni  Ni95  1  0.054840  0.440834  0.394577  1
  Ni  Ni96  1  0.203840  0.738828  0.419315  1
  Ni  Ni97  1  0.853120  0.037385  0.444045  1
  Ni  Ni98  1  0.353120  0.037385  0.444045  1
  Ni  Ni99  1  0.278486  0.388120  0.431666  1
  Ni  Ni100  1  0.427530  0.686203  0.456311  1
  Ni  Ni101  1  0.778486  0.388120  0.431666  1
  Ni  Ni102  1  0.927530  0.686203  0.456311  1
  Ni  Ni103  1  0.576778  0.984695  0.481083  1
  Ni  Ni104  1  0.076778  0.984695  0.481083  1
  Ni  Ni105  1  0.002174  0.335489  0.468716  1
  Ni  Ni106  1  0.151279  0.633695  0.493387  1
  Ni  Ni107  1  0.502174  0.335489  0.468716  1
  Ni  Ni108  1  0.651279  0.633695  0.493387  1
  Ni  Ni109  1  0.300407  0.931948  0.518095  1
  Ni  Ni110  1  0.800407  0.931948  0.518095  1
  Ni  Ni111  1  0.725906  0.282948  0.505792  1
  Ni  Ni112  1  0.875011  0.581154  0.530463  1
  Ni  Ni113  1  0.225906  0.282948  0.505792  1
  Ni  Ni114  1  0.375011  0.581154  0.530463  1
  Ni  Ni115  1  0.024064  0.879257  0.555133  1
  Ni  Ni116  1  0.524064  0.879257  0.555133  1
  Ni  Ni117  1  0.449654  0.230440  0.542867  1
  Ni  Ni118  1  0.598698  0.528523  0.567512  1
  Ni  Ni119  1  0.949654  0.230440  0.542867  1
  Ni  Ni120  1  0.098698  0.528523  0.567512  1
  Ni  Ni121  1  0.747775  0.826673  0.592207  1
  Ni  Ni122  1  0.247775  0.826673  0.592207  1
  Ni  Ni123  1  0.173344  0.177815  0.579863  1
  Ni  Ni124  1  0.322344  0.475809  0.604601  1
  Ni  Ni125  1  0.673344  0.177815  0.579863  1
  Ni  Ni126  1  0.822344  0.475809  0.604601  1
  Ni  Ni127  1  0.471666  0.774451  0.629362  1
  Ni  Ni128  1  0.971666  0.774451  0.629362  1
  Ni  Ni129  1  0.896917  0.124955  0.616780  1
  Ni  Ni130  1  0.046218  0.423550  0.642030  1
  Ni  Ni131  1  0.396917  0.124955  0.616780  1
  Ni  Ni132  1  0.546218  0.423550  0.642030  1
  Ni  Ni133  1  0.195131  0.721377  0.666266  1
  Ni  Ni134  1  0.695131  0.721377  0.666266  1
  Ni  Ni135  1  0.620777  0.072677  0.653855  1
  Ni  Ni136  1  0.769169  0.369435  0.679088  1
  Ni  Ni137  1  0.120777  0.072677  0.653855  1
  Ni  Ni138  1  0.269169  0.369435  0.679088  1
  Ni  Ni139  1  0.918139  0.667382  0.702727  1
  Ni  Ni140  1  0.418139  0.667382  0.702727  1
  Ni  Ni141  1  0.343604  0.018348  0.690700  1
  Ni  Ni142  1  0.491609  0.314248  0.714731  1
  Ni  Ni143  1  0.843604  0.018348  0.690700  1
  Ni  Ni144  1  0.991609  0.314248  0.714731  1
