# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89218163
_cell_length_b   10.90506492
_cell_length_c   47.72032215
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe27 Ni81'
_cell_volume   2481.39554233
_cell_formula_units_Z   27
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  0.020225  0.705588  0.283086  1
  Fe  Fe2  1  0.178228  0.021575  0.299119  1
  Fe  Fe3  1  0.335579  0.336391  0.316373  1
  Fe  Fe4  1  0.492761  0.650865  0.332242  1
  Fe  Fe5  1  0.651315  0.968007  0.349239  1
  Fe  Fe6  1  0.808925  0.283331  0.365910  1
  Fe  Fe7  1  0.966808  0.599161  0.382562  1
  Fe  Fe8  1  0.124397  0.914431  0.399148  1
  Fe  Fe9  1  0.282377  0.230461  0.415918  1
  Fe  Fe10  1  0.440191  0.546169  0.432536  1
  Fe  Fe11  1  0.597933  0.861730  0.449185  1
  Fe  Fe12  1  0.755749  0.177444  0.465863  1
  Fe  Fe13  1  0.913609  0.493239  0.482552  1
  Fe  Fe14  1  0.071386  0.808872  0.499203  1
  Fe  Fe15  1  0.229162  0.124504  0.515853  1
  Fe  Fe16  1  0.387022  0.440299  0.532542  1
  Fe  Fe17  1  0.544838  0.756013  0.549220  1
  Fe  Fe18  1  0.702580  0.071575  0.565870  1
  Fe  Fe19  1  0.860394  0.387282  0.582487  1
  Fe  Fe20  1  0.018374  0.703312  0.599257  1
  Fe  Fe21  1  0.175963  0.018582  0.615844  1
  Fe  Fe22  1  0.333846  0.334412  0.632495  1
  Fe  Fe23  1  0.491456  0.649737  0.649166  1
  Fe  Fe24  1  0.650010  0.966879  0.666164  1
  Fe  Fe25  1  0.807192  0.281353  0.682032  1
  Fe  Fe26  1  0.964543  0.596169  0.699286  1
  Fe  Fe27  1  0.122546  0.912156  0.715320  1
  Ni  Ni28  1  0.335842  0.836958  0.315952  1
  Ni  Ni29  1  0.022569  0.208206  0.283090  1
  Ni  Ni30  1  0.177701  0.518214  0.298281  1
  Ni  Ni31  1  0.521459  0.708057  0.282854  1
  Ni  Ni32  1  0.677021  0.019161  0.298291  1
  Ni  Ni33  1  0.835682  0.336618  0.316161  1
  Ni  Ni34  1  0.835881  0.836961  0.315952  1
  Ni  Ni35  1  0.520422  0.208178  0.283088  1
  Ni  Ni36  1  0.675377  0.518215  0.298281  1
  Ni  Ni37  1  0.808601  0.783018  0.365708  1
  Ni  Ni38  1  0.493672  0.151436  0.332547  1
  Ni  Ni39  1  0.651361  0.468054  0.349268  1
  Ni  Ni40  1  0.992668  0.650677  0.332438  1
  Ni  Ni41  1  0.151303  0.967986  0.349260  1
  Ni  Ni42  1  0.308819  0.283118  0.365972  1
  Ni  Ni43  1  0.308937  0.783018  0.365708  1
  Ni  Ni44  1  0.992448  0.151436  0.332548  1
  Ni  Ni45  1  0.151307  0.468056  0.349268  1
  Ni  Ni46  1  0.282409  0.730397  0.415843  1
  Ni  Ni47  1  0.966717  0.099030  0.382595  1
  Ni  Ni48  1  0.124587  0.414808  0.399227  1
  Ni  Ni49  1  0.466825  0.599195  0.382497  1
  Ni  Ni50  1  0.624423  0.914482  0.399153  1
  Ni  Ni51  1  0.782378  0.230464  0.415899  1
  Ni  Ni52  1  0.782281  0.730397  0.415843  1
  Ni  Ni53  1  0.466764  0.099030  0.382595  1
  Ni  Ni54  1  0.624591  0.414808  0.399227  1
  Ni  Ni55  1  0.755777  0.677506  0.465871  1
  Ni  Ni56  1  0.440069  0.045976  0.432520  1
  Ni  Ni57  1  0.598008  0.361860  0.449225  1
  Ni  Ni58  1  0.940185  0.546155  0.432553  1
  Ni  Ni59  1  0.097933  0.861731  0.449184  1
  Ni  Ni60  1  0.255748  0.177441  0.465871  1
  Ni  Ni61  1  0.255786  0.677506  0.465871  1
  Ni  Ni62  1  0.940118  0.045976  0.432520  1
  Ni  Ni63  1  0.097988  0.361860  0.449225  1
  Ni  Ni64  1  0.229232  0.624623  0.515883  1
  Ni  Ni65  1  0.913539  0.993120  0.482522  1
  Ni  Ni66  1  0.071386  0.308872  0.499203  1
  Ni  Ni67  1  0.413606  0.493233  0.482547  1
  Ni  Ni68  1  0.571386  0.808872  0.499203  1
  Ni  Ni69  1  0.729165  0.124510  0.515858  1
  Ni  Ni70  1  0.729213  0.624623  0.515883  1
  Ni  Ni71  1  0.413558  0.993120  0.482522  1
  Ni  Ni72  1  0.571386  0.308872  0.499203  1
  Ni  Ni73  1  0.702702  0.571767  0.565885  1
  Ni  Ni74  1  0.386994  0.940238  0.532534  1
  Ni  Ni75  1  0.544763  0.255883  0.549181  1
  Ni  Ni76  1  0.887023  0.440302  0.532535  1
  Ni  Ni77  1  0.044838  0.756012  0.549221  1
  Ni  Ni78  1  0.202587  0.071588  0.565852  1
  Ni  Ni79  1  0.202653  0.571767  0.565885  1
  Ni  Ni80  1  0.886985  0.940238  0.532534  1
  Ni  Ni81  1  0.044783  0.255883  0.549181  1
  Ni  Ni82  1  0.176054  0.518713  0.615811  1
  Ni  Ni83  1  0.860362  0.887347  0.582563  1
  Ni  Ni84  1  0.018184  0.202936  0.599178  1
  Ni  Ni85  1  0.360393  0.387279  0.582506  1
  Ni  Ni86  1  0.518348  0.703262  0.599253  1
  Ni  Ni87  1  0.675947  0.018549  0.615909  1
  Ni  Ni88  1  0.676007  0.518714  0.615811  1
  Ni  Ni89  1  0.360490  0.887347  0.582563  1
  Ni  Ni90  1  0.518180  0.202935  0.599178  1
  Ni  Ni91  1  0.649099  0.466307  0.665858  1
  Ni  Ni92  1  0.334170  0.834725  0.632697  1
  Ni  Ni93  1  0.491410  0.149689  0.649138  1
  Ni  Ni94  1  0.833952  0.334626  0.632433  1
  Ni  Ni95  1  0.991468  0.649758  0.649145  1
  Ni  Ni96  1  0.150103  0.967066  0.665968  1
  Ni  Ni97  1  0.150323  0.466307  0.665858  1
  Ni  Ni98  1  0.833834  0.834726  0.632697  1
  Ni  Ni99  1  0.991465  0.149688  0.649138  1
  Ni  Ni100  1  0.120202  0.409537  0.715316  1
  Ni  Ni101  1  0.806929  0.780786  0.682454  1
  Ni  Ni102  1  0.965070  0.099529  0.700124  1
  Ni  Ni103  1  0.307089  0.281126  0.682245  1
  Ni  Ni104  1  0.465750  0.598583  0.700115  1
  Ni  Ni105  1  0.621312  0.909686  0.715551  1
  Ni  Ni106  1  0.622349  0.409566  0.715318  1
  Ni  Ni107  1  0.306890  0.780783  0.682453  1
  Ni  Ni108  1  0.467394  0.099528  0.700124  1
