# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44673435
_cell_length_b   10.93085047
_cell_length_c   49.39373161
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe21 Ni63'
_cell_volume   1860.94528285
_cell_formula_units_Z   21
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  1.002109  0.194060  0.315354  1
  Fe  Fe2  1  1.002109  0.893790  0.293166  1
  Fe  Fe3  1  1.002109  0.594580  0.271371  1
  Fe  Fe4  1  1.002109  0.093245  0.381918  1
  Fe  Fe5  1  1.002109  0.793399  0.359750  1
  Fe  Fe6  1  1.002109  0.493191  0.337349  1
  Fe  Fe7  1  1.002109  0.992707  0.448601  1
  Fe  Fe8  1  1.002109  0.692812  0.426347  1
  Fe  Fe9  1  1.002109  0.393011  0.404142  1
  Fe  Fe10  1  1.002109  0.892201  0.515266  1
  Fe  Fe11  1  1.002109  0.592375  0.493041  1
  Fe  Fe12  1  1.002109  0.292540  0.470818  1
  Fe  Fe13  1  1.002109  0.791761  0.581960  1
  Fe  Fe14  1  1.002109  0.491876  0.559710  1
  Fe  Fe15  1  1.002109  0.192046  0.537494  1
  Fe  Fe16  1  1.002109  0.691353  0.648588  1
  Fe  Fe17  1  1.002109  0.391292  0.626402  1
  Fe  Fe18  1  1.002109  0.091580  0.604163  1
  Fe  Fe19  1  1.002109  0.590983  0.714961  1
  Fe  Fe20  1  1.002109  0.290858  0.692899  1
  Fe  Fe21  1  1.002109  0.991160  0.670948  1
  Ni  Ni22  1  0.502109  0.043247  0.304146  1
  Ni  Ni23  1  0.502109  0.746736  0.281188  1
  Ni  Ni24  1  0.502109  0.343473  0.326327  1
  Ni  Ni25  1  1.002109  0.092681  0.271634  1
  Ni  Ni26  1  1.002109  0.694029  0.315402  1
  Ni  Ni27  1  1.002109  0.393350  0.292350  1
  Ni  Ni28  1  0.502109  0.244132  0.281679  1
  Ni  Ni29  1  0.502109  0.843202  0.326445  1
  Ni  Ni30  1  0.502109  0.543540  0.304078  1
  Ni  Ni31  1  0.502109  0.943334  0.370825  1
  Ni  Ni32  1  0.502109  0.643176  0.348568  1
  Ni  Ni33  1  0.502109  0.243109  0.393028  1
  Ni  Ni34  1  1.002109  0.993634  0.337499  1
  Ni  Ni35  1  1.002109  0.593038  0.381870  1
  Ni  Ni36  1  1.002109  0.293415  0.359711  1
  Ni  Ni37  1  0.502109  0.143415  0.348544  1
  Ni  Ni38  1  0.502109  0.743036  0.393027  1
  Ni  Ni39  1  0.502109  0.443223  0.370769  1
  Ni  Ni40  1  0.502109  0.842761  0.437479  1
  Ni  Ni41  1  0.502109  0.542900  0.415234  1
  Ni  Ni42  1  0.502109  0.142624  0.459710  1
  Ni  Ni43  1  1.002109  0.893069  0.404162  1
  Ni  Ni44  1  1.002109  0.492697  0.448588  1
  Ni  Ni45  1  1.002109  0.192868  0.426371  1
  Ni  Ni46  1  0.502109  0.042976  0.415264  1
  Ni  Ni47  1  0.502109  0.642601  0.459695  1
  Ni  Ni48  1  0.502109  0.342778  0.437480  1
  Ni  Ni49  1  0.502109  0.742287  0.504153  1
  Ni  Ni50  1  0.502109  0.442459  0.481929  1
  Ni  Ni51  1  0.502109  0.042124  0.526382  1
  Ni  Ni52  1  1.002109  0.792511  0.470810  1
  Ni  Ni53  1  1.002109  0.392209  0.515265  1
  Ni  Ni54  1  1.002109  0.092375  0.493047  1
  Ni  Ni55  1  0.502109  0.942443  0.481931  1
  Ni  Ni56  1  0.502109  0.542141  0.526379  1
  Ni  Ni57  1  0.502109  0.242290  0.504155  1
  Ni  Ni58  1  0.502109  0.641816  0.570836  1
  Ni  Ni59  1  0.502109  0.341958  0.548599  1
  Ni  Ni60  1  0.502109  0.941666  0.593059  1
  Ni  Ni61  1  1.002109  0.692062  0.537499  1
  Ni  Ni62  1  1.002109  0.291711  0.581945  1
  Ni  Ni63  1  1.002109  0.991885  0.559718  1
  Ni  Ni64  1  0.502109  0.841965  0.548610  1
  Ni  Ni65  1  0.502109  0.441560  0.593039  1
  Ni  Ni66  1  0.502109  0.141825  0.570834  1
  Ni  Ni67  1  0.502109  0.541229  0.637414  1
  Ni  Ni68  1  0.502109  0.241476  0.615313  1
  Ni  Ni69  1  0.502109  0.841437  0.659799  1
  Ni  Ni70  1  1.002109  0.591544  0.604152  1
  Ni  Ni71  1  1.002109  0.191214  0.648602  1
  Ni  Ni72  1  1.002109  0.891512  0.626434  1
  Ni  Ni73  1  0.502109  0.741598  0.615295  1
  Ni  Ni74  1  0.502109  0.341582  0.659837  1
  Ni  Ni75  1  0.502109  0.041177  0.637502  1
  Ni  Ni76  1  0.502109  0.440747  0.705055  1
  Ni  Ni77  1  0.502109  0.140970  0.681704  1
  Ni  Ni78  1  0.502109  0.738842  0.725823  1
  Ni  Ni79  1  1.002109  0.490843  0.670810  1
  Ni  Ni80  1  1.002109  0.090663  0.715468  1
  Ni  Ni81  1  1.002109  0.791473  0.693091  1
  Ni  Ni82  1  0.502109  0.640567  0.681620  1
  Ni  Ni83  1  0.502109  0.241216  0.725577  1
  Ni  Ni84  1  0.502109  0.941073  0.704833  1
