# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98643029
_cell_length_b   11.24399987
_cell_length_c   48.01472765
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.08937338
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe78 Ni78'
_cell_volume   3585.38881688
_cell_formula_units_Z   78
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  0.818010  0.217912  0.291635  1
  Fe  Fe2  1  0.318010  0.217912  0.291635  1
  Fe  Fe3  1  0.243012  0.567873  0.280538  1
  Fe  Fe4  1  0.391353  0.864621  0.303034  1
  Fe  Fe5  1  0.743012  0.567873  0.280538  1
  Fe  Fe6  1  0.891353  0.864621  0.303034  1
  Fe  Fe7  1  0.540465  0.162844  0.327045  1
  Fe  Fe8  1  0.040465  0.162844  0.327045  1
  Fe  Fe9  1  0.965627  0.513164  0.315144  1
  Fe  Fe10  1  0.114549  0.811025  0.338211  1
  Fe  Fe11  1  0.465627  0.513164  0.315144  1
  Fe  Fe12  1  0.614549  0.811025  0.338211  1
  Fe  Fe13  1  0.263208  0.108355  0.361303  1
  Fe  Fe14  1  0.763208  0.108355  0.361303  1
  Fe  Fe15  1  0.688724  0.459383  0.349810  1
  Fe  Fe16  1  0.837710  0.757367  0.372778  1
  Fe  Fe17  1  0.188724  0.459383  0.349810  1
  Fe  Fe18  1  0.337710  0.757367  0.372778  1
  Fe  Fe19  1  0.986341  0.054645  0.395677  1
  Fe  Fe20  1  0.486341  0.054645  0.395677  1
  Fe  Fe21  1  0.412118  0.406190  0.384289  1
  Fe  Fe22  1  0.560829  0.703626  0.407212  1
  Fe  Fe23  1  0.912118  0.406190  0.384289  1
  Fe  Fe24  1  0.060829  0.703626  0.407212  1
  Fe  Fe25  1  0.709592  0.001166  0.430183  1
  Fe  Fe26  1  0.209592  0.001166  0.430183  1
  Fe  Fe27  1  0.135320  0.352615  0.418781  1
  Fe  Fe28  1  0.284037  0.650064  0.441718  1
  Fe  Fe29  1  0.635320  0.352615  0.418781  1
  Fe  Fe30  1  0.784037  0.650064  0.441718  1
  Fe  Fe31  1  0.432811  0.947627  0.464690  1
  Fe  Fe32  1  0.932811  0.947627  0.464690  1
  Fe  Fe33  1  0.858437  0.298871  0.453216  1
  Fe  Fe34  1  0.007251  0.596513  0.476221  1
  Fe  Fe35  1  0.358437  0.298871  0.453216  1
  Fe  Fe36  1  0.507251  0.596513  0.476221  1
  Fe  Fe37  1  0.156011  0.894048  0.499179  1
  Fe  Fe38  1  0.656011  0.894048  0.499179  1
  Fe  Fe39  1  0.581583  0.245183  0.487658  1
  Fe  Fe40  1  0.730440  0.542912  0.510700  1
  Fe  Fe41  1  0.081583  0.245183  0.487658  1
  Fe  Fe42  1  0.230440  0.542912  0.510700  1
  Fe  Fe43  1  0.879211  0.840469  0.533669  1
  Fe  Fe44  1  0.379211  0.840469  0.533669  1
  Fe  Fe45  1  0.304772  0.191582  0.522137  1
  Fe  Fe46  1  0.453586  0.489225  0.545143  1
  Fe  Fe47  1  0.804772  0.191582  0.522137  1
  Fe  Fe48  1  0.953586  0.489225  0.545143  1
  Fe  Fe49  1  0.602431  0.786929  0.568175  1
  Fe  Fe50  1  0.102431  0.786929  0.568175  1
  Fe  Fe51  1  0.027986  0.138032  0.556640  1
  Fe  Fe52  1  0.176702  0.435480  0.579577  1
  Fe  Fe53  1  0.527986  0.138032  0.556640  1
  Fe  Fe54  1  0.676702  0.435480  0.579577  1
  Fe  Fe55  1  0.325682  0.733450  0.602682  1
  Fe  Fe56  1  0.825682  0.733450  0.602682  1
  Fe  Fe57  1  0.751194  0.084469  0.591146  1
  Fe  Fe58  1  0.899905  0.381905  0.614069  1
  Fe  Fe59  1  0.251194  0.084469  0.591146  1
  Fe  Fe60  1  0.399905  0.381905  0.614069  1
  Fe  Fe61  1  0.048815  0.679740  0.637055  1
  Fe  Fe62  1  0.548815  0.679740  0.637055  1
  Fe  Fe63  1  0.474313  0.030729  0.625581  1
  Fe  Fe64  1  0.623299  0.328713  0.648548  1
  Fe  Fe65  1  0.974313  0.030729  0.625581  1
  Fe  Fe66  1  0.123299  0.328713  0.648548  1
  Fe  Fe67  1  0.771558  0.625251  0.671313  1
  Fe  Fe68  1  0.271558  0.625251  0.671313  1
  Fe  Fe69  1  0.197474  0.977070  0.660148  1
  Fe  Fe70  1  0.346396  0.274931  0.683214  1
  Fe  Fe71  1  0.697474  0.977070  0.660148  1
  Fe  Fe72  1  0.846396  0.274931  0.683214  1
  Fe  Fe73  1  0.494013  0.570183  0.706723  1
  Fe  Fe74  1  0.994013  0.570183  0.706723  1
  Fe  Fe75  1  0.920670  0.923474  0.695325  1
  Fe  Fe76  1  0.069011  0.220222  0.717820  1
  Fe  Fe77  1  0.420670  0.923474  0.695325  1
  Fe  Fe78  1  0.569011  0.220222  0.717820  1
  Ni  Ni79  1  0.141486  0.364885  0.303487  1
  Ni  Ni80  1  0.641486  0.364885  0.303487  1
  Ni  Ni81  1  0.567340  0.716571  0.292163  1
  Ni  Ni82  1  0.993025  0.067902  0.281620  1
  Ni  Ni83  1  0.067340  0.716571  0.292163  1
  Ni  Ni84  1  0.493025  0.067902  0.281620  1
  Ni  Ni85  1  0.864467  0.310862  0.338324  1
  Ni  Ni86  1  0.364467  0.310862  0.338324  1
  Ni  Ni87  1  0.290041  0.662000  0.326920  1
  Ni  Ni88  1  0.715868  0.013641  0.315205  1
  Ni  Ni89  1  0.790041  0.662000  0.326920  1
  Ni  Ni90  1  0.215868  0.013641  0.315205  1
  Ni  Ni91  1  0.587704  0.257355  0.372881  1
  Ni  Ni92  1  0.087704  0.257355  0.372881  1
  Ni  Ni93  1  0.013254  0.608448  0.361182  1
  Ni  Ni94  1  0.438794  0.959521  0.349598  1
  Ni  Ni95  1  0.513254  0.608448  0.361182  1
  Ni  Ni96  1  0.938794  0.959521  0.349598  1
  Ni  Ni97  1  0.310839  0.203647  0.407258  1
  Ni  Ni98  1  0.810839  0.203647  0.407258  1
  Ni  Ni99  1  0.736484  0.554930  0.395734  1
  Ni  Ni100  1  0.162009  0.905972  0.384198  1
  Ni  Ni101  1  0.236484  0.554930  0.395734  1
  Ni  Ni102  1  0.662009  0.905972  0.384198  1
  Ni  Ni103  1  0.034000  0.149989  0.441678  1
  Ni  Ni104  1  0.534000  0.149989  0.441678  1
  Ni  Ni105  1  0.459683  0.501347  0.430250  1
  Ni  Ni106  1  0.885217  0.852409  0.418727  1
  Ni  Ni107  1  0.959683  0.501347  0.430250  1
  Ni  Ni108  1  0.385217  0.852409  0.418727  1
  Ni  Ni109  1  0.757190  0.096392  0.476164  1
  Ni  Ni110  1  0.257190  0.096392  0.476164  1
  Ni  Ni111  1  0.182858  0.447719  0.464733  1
  Ni  Ni112  1  0.608419  0.798834  0.453202  1
  Ni  Ni113  1  0.682858  0.447719  0.464733  1
  Ni  Ni114  1  0.108419  0.798834  0.453202  1
  Ni  Ni115  1  0.480394  0.042819  0.510663  1
  Ni  Ni116  1  0.980394  0.042819  0.510663  1
  Ni  Ni117  1  0.906011  0.394048  0.499179  1
  Ni  Ni118  1  0.331629  0.745276  0.487695  1
  Ni  Ni119  1  0.406011  0.394048  0.499179  1
  Ni  Ni120  1  0.831629  0.745276  0.487695  1
  Ni  Ni121  1  0.203604  0.989261  0.545157  1
  Ni  Ni122  1  0.703604  0.989261  0.545157  1
  Ni  Ni123  1  0.629165  0.340377  0.533625  1
  Ni  Ni124  1  0.054832  0.691703  0.522195  1
  Ni  Ni125  1  0.129165  0.340377  0.533625  1
  Ni  Ni126  1  0.554832  0.691703  0.522195  1
  Ni  Ni127  1  0.926806  0.935686  0.579631  1
  Ni  Ni128  1  0.426806  0.935686  0.579631  1
  Ni  Ni129  1  0.352340  0.286748  0.568108  1
  Ni  Ni130  1  0.778023  0.638106  0.556680  1
  Ni  Ni131  1  0.852340  0.286748  0.568108  1
  Ni  Ni132  1  0.278023  0.638106  0.556680  1
  Ni  Ni133  1  0.650014  0.882123  0.614160  1
  Ni  Ni134  1  0.150014  0.882123  0.614160  1
  Ni  Ni135  1  0.075539  0.233165  0.602625  1
  Ni  Ni136  1  0.501183  0.584449  0.591101  1
  Ni  Ni137  1  0.575539  0.233165  0.602625  1
  Ni  Ni138  1  0.001183  0.584449  0.591101  1
  Ni  Ni139  1  0.373229  0.828574  0.648760  1
  Ni  Ni140  1  0.873229  0.828574  0.648760  1
  Ni  Ni141  1  0.798769  0.179647  0.637176  1
  Ni  Ni142  1  0.224318  0.530740  0.625478  1
  Ni  Ni143  1  0.298769  0.179647  0.637176  1
  Ni  Ni144  1  0.724318  0.530740  0.625478  1
  Ni  Ni145  1  0.096155  0.774454  0.683153  1
  Ni  Ni146  1  0.596155  0.774454  0.683153  1
  Ni  Ni147  1  0.521982  0.126096  0.671438  1
  Ni  Ni148  1  0.947556  0.477234  0.660034  1
  Ni  Ni149  1  0.021982  0.126096  0.671438  1
  Ni  Ni150  1  0.447556  0.477234  0.660034  1
  Ni  Ni151  1  0.818998  0.720193  0.716738  1
  Ni  Ni152  1  0.318998  0.720193  0.716738  1
  Ni  Ni153  1  0.244683  0.071524  0.706195  1
  Ni  Ni154  1  0.670537  0.423210  0.694872  1
  Ni  Ni155  1  0.744683  0.071524  0.706195  1
  Ni  Ni156  1  0.170537  0.423210  0.694872  1
