# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97795191
_cell_length_b   11.07959169
_cell_length_c   48.38822325
_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   2601.21308753
_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  0.019870  0.706347  0.283358  1
  Fe  Fe2  1  0.176987  0.020513  0.299757  1
  Fe  Fe3  1  0.334935  0.336585  0.317156  1
  Fe  Fe4  1  0.492256  0.651270  0.333299  1
  Fe  Fe5  1  0.650402  0.967687  0.349920  1
  Fe  Fe6  1  0.808034  0.283071  0.366660  1
  Fe  Fe7  1  0.965985  0.599074  0.383250  1
  Fe  Fe8  1  0.123653  0.914513  0.399905  1
  Fe  Fe9  1  0.281484  0.230283  0.416619  1
  Fe  Fe10  1  0.439295  0.546008  0.433338  1
  Fe  Fe11  1  0.597074  0.861671  0.450001  1
  Fe  Fe12  1  0.754852  0.177333  0.466697  1
  Fe  Fe13  1  0.912673  0.493080  0.483391  1
  Fe  Fe14  1  0.070457  0.808754  0.500074  1
  Fe  Fe15  1  0.228242  0.124428  0.516757  1
  Fe  Fe16  1  0.386063  0.440176  0.533451  1
  Fe  Fe17  1  0.543840  0.755837  0.550147  1
  Fe  Fe18  1  0.701619  0.071500  0.566810  1
  Fe  Fe19  1  0.859431  0.387226  0.583529  1
  Fe  Fe20  1  0.017262  0.702996  0.600243  1
  Fe  Fe21  1  0.174929  0.018434  0.616898  1
  Fe  Fe22  1  0.332880  0.334437  0.633488  1
  Fe  Fe23  1  0.490512  0.649821  0.650228  1
  Fe  Fe24  1  0.648659  0.966238  0.666849  1
  Fe  Fe25  1  0.805980  0.280923  0.682992  1
  Fe  Fe26  1  0.963927  0.596995  0.700391  1
  Fe  Fe27  1  0.121045  0.911161  0.716790  1
  Ni  Ni28  1  0.335453  0.836126  0.316899  1
  Ni  Ni29  1  0.020583  0.208118  0.284274  1
  Ni  Ni30  1  0.176950  0.519795  0.300044  1
  Ni  Ni31  1  0.519260  0.705133  0.284444  1
  Ni  Ni32  1  0.677547  0.021656  0.299935  1
  Ni  Ni33  1  0.834702  0.336107  0.317025  1
  Ni  Ni34  1  0.833991  0.836132  0.316897  1
  Ni  Ni35  1  0.520748  0.208142  0.284273  1
  Ni  Ni36  1  0.676384  0.519806  0.300043  1
  Ni  Ni37  1  0.808175  0.783032  0.366481  1
  Ni  Ni38  1  0.492390  0.151252  0.333083  1
  Ni  Ni39  1  0.650749  0.468033  0.349922  1
  Ni  Ni40  1  0.992243  0.651240  0.332929  1
  Ni  Ni41  1  0.150443  0.967773  0.349845  1
  Ni  Ni42  1  0.308060  0.283118  0.366517  1
  Ni  Ni43  1  0.307867  0.783032  0.366482  1
  Ni  Ni44  1  0.992091  0.151256  0.333083  1
  Ni  Ni45  1  0.150395  0.468037  0.349923  1
  Ni  Ni46  1  0.281484  0.730351  0.416634  1
  Ni  Ni47  1  0.965903  0.098890  0.383248  1
  Ni  Ni48  1  0.123708  0.414606  0.399954  1
  Ni  Ni49  1  0.465962  0.599021  0.383323  1
  Ni  Ni50  1  0.623627  0.914459  0.399896  1
  Ni  Ni51  1  0.781465  0.230242  0.416668  1
  Ni  Ni52  1  0.781557  0.730352  0.416634  1
  Ni  Ni53  1  0.465888  0.098890  0.383249  1
  Ni  Ni54  1  0.623687  0.414605  0.399954  1
  Ni  Ni55  1  0.754884  0.677383  0.466699  1
  Ni  Ni56  1  0.439236  0.045897  0.433304  1
  Ni  Ni57  1  0.597073  0.361693  0.450016  1
  Ni  Ni58  1  0.939295  0.546010  0.433317  1
  Ni  Ni59  1  0.097078  0.861679  0.450007  1
  Ni  Ni60  1  0.254859  0.177346  0.466684  1
  Ni  Ni61  1  0.254870  0.677383  0.466699  1
  Ni  Ni62  1  0.939243  0.045897  0.433304  1
  Ni  Ni63  1  0.097096  0.361693  0.450016  1
  Ni  Ni64  1  0.228257  0.624462  0.516769  1
  Ni  Ni65  1  0.912658  0.993046  0.483379  1
  Ni  Ni66  1  0.070457  0.308754  0.500074  1
  Ni  Ni67  1  0.412671  0.493077  0.483393  1
  Ni  Ni68  1  0.570457  0.808754  0.500074  1
  Ni  Ni69  1  0.728243  0.124432  0.516755  1
  Ni  Ni70  1  0.728260  0.624462  0.516769  1
  Ni  Ni71  1  0.412655  0.993046  0.483379  1
  Ni  Ni72  1  0.570457  0.308754  0.500074  1
  Ni  Ni73  1  0.701679  0.571611  0.566844  1
  Ni  Ni74  1  0.386030  0.940125  0.533449  1
  Ni  Ni75  1  0.543841  0.255815  0.550132  1
  Ni  Ni76  1  0.886056  0.440162  0.533464  1
  Ni  Ni77  1  0.043836  0.755829  0.550141  1
  Ni  Ni78  1  0.201619  0.071498  0.566831  1
  Ni  Ni79  1  0.201672  0.571611  0.566844  1
  Ni  Ni80  1  0.886045  0.940125  0.533449  1
  Ni  Ni81  1  0.043818  0.255815  0.550132  1
  Ni  Ni82  1  0.175012  0.518619  0.616900  1
  Ni  Ni83  1  0.859431  0.887157  0.583514  1
  Ni  Ni84  1  0.017206  0.202903  0.600194  1
  Ni  Ni85  1  0.359450  0.387266  0.583480  1
  Ni  Ni86  1  0.517288  0.703049  0.600252  1
  Ni  Ni87  1  0.674953  0.018487  0.616825  1
  Ni  Ni88  1  0.675027  0.518618  0.616899  1
  Ni  Ni89  1  0.359358  0.887156  0.583514  1
  Ni  Ni90  1  0.517228  0.202903  0.600194  1
  Ni  Ni91  1  0.648525  0.466256  0.667065  1
  Ni  Ni92  1  0.332740  0.834476  0.633667  1
  Ni  Ni93  1  0.490166  0.149475  0.650226  1
  Ni  Ni94  1  0.832855  0.334390  0.633631  1
  Ni  Ni95  1  0.990471  0.649735  0.650303  1
  Ni  Ni96  1  0.148672  0.966268  0.667219  1
  Ni  Ni97  1  0.148824  0.466252  0.667065  1
  Ni  Ni98  1  0.833048  0.834477  0.633666  1
  Ni  Ni99  1  0.990520  0.149471  0.650225  1
  Ni  Ni100  1  0.120331  0.409391  0.715874  1
  Ni  Ni101  1  0.805461  0.781383  0.683249  1
  Ni  Ni102  1  0.963965  0.097713  0.700104  1
  Ni  Ni103  1  0.306212  0.281402  0.683123  1
  Ni  Ni104  1  0.463368  0.595852  0.700213  1
  Ni  Ni105  1  0.621654  0.912376  0.715704  1
  Ni  Ni106  1  0.620167  0.409367  0.715875  1
  Ni  Ni107  1  0.306924  0.781377  0.683251  1
  Ni  Ni108  1  0.464531  0.097702  0.700105  1
