# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49485152
_cell_length_b   12.69799447
_cell_length_c   46.84234151
_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   2078.75094337
_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  1.003003  0.524943  0.327612  1
  Fe  Fe2  1  1.003003  0.296387  0.286044  1
  Fe  Fe3  1  1.003003  0.911054  0.306623  1
  Fe  Fe4  1  1.003003  0.371089  0.390155  1
  Fe  Fe5  1  1.003003  0.140466  0.348448  1
  Fe  Fe6  1  1.003003  0.755742  0.369326  1
  Fe  Fe7  1  1.003003  0.217128  0.452661  1
  Fe  Fe8  1  1.003003  0.986432  0.410872  1
  Fe  Fe9  1  1.003003  0.601781  0.431788  1
  Fe  Fe10  1  1.003003  0.063237  0.515245  1
  Fe  Fe11  1  1.003003  0.832514  0.473538  1
  Fe  Fe12  1  1.003003  0.447909  0.494429  1
  Fe  Fe13  1  1.003003  0.909317  0.577826  1
  Fe  Fe14  1  1.003003  0.678587  0.536156  1
  Fe  Fe15  1  1.003003  0.293949  0.556971  1
  Fe  Fe16  1  1.003003  0.755304  0.640461  1
  Fe  Fe17  1  1.003003  0.524786  0.598808  1
  Fe  Fe18  1  1.003003  0.140167  0.619613  1
  Fe  Fe19  1  1.003003  0.599598  0.703109  1
  Fe  Fe20  1  1.003003  0.370563  0.660862  1
  Fe  Fe21  1  1.003003  0.985396  0.681646  1
  Ni  Ni22  1  0.503003  0.411388  0.307124  1
  Ni  Ni23  1  0.503003  0.025506  0.327467  1
  Ni  Ni24  1  0.503003  0.794053  0.287046  1
  Ni  Ni25  1  1.003003  0.332668  0.338112  1
  Ni  Ni26  1  1.003003  0.104788  0.297136  1
  Ni  Ni27  1  1.003003  0.717800  0.317233  1
  Ni  Ni28  1  0.503003  0.604029  0.296979  1
  Ni  Ni29  1  0.503003  0.218360  0.317364  1
  Ni  Ni30  1  0.503003  0.832530  0.338043  1
  Ni  Ni31  1  0.503003  0.255640  0.369228  1
  Ni  Ni32  1  0.503003  0.871171  0.390091  1
  Ni  Ni33  1  0.503003  0.640467  0.348305  1
  Ni  Ni34  1  1.003003  0.178687  0.400511  1
  Ni  Ni35  1  1.003003  0.947978  0.358621  1
  Ni  Ni36  1  1.003003  0.563338  0.379525  1
  Ni  Ni37  1  0.503003  0.448013  0.358822  1
  Ni  Ni38  1  0.503003  0.063293  0.379491  1
  Ni  Ni39  1  0.503003  0.678700  0.400512  1
  Ni  Ni40  1  0.503003  0.101710  0.431756  1
  Ni  Ni41  1  0.503003  0.717143  0.452679  1
  Ni  Ni42  1  0.503003  0.486479  0.410952  1
  Ni  Ni43  1  1.003003  0.024819  0.463071  1
  Ni  Ni44  1  1.003003  0.794139  0.421403  1
  Ni  Ni45  1  1.003003  0.409509  0.442273  1
  Ni  Ni46  1  0.503003  0.294096  0.421395  1
  Ni  Ni47  1  0.503003  0.909488  0.442235  1
  Ni  Ni48  1  0.503003  0.524860  0.463127  1
  Ni  Ni49  1  0.503003  0.947875  0.494385  1
  Ni  Ni50  1  0.503003  0.563277  0.515304  1
  Ni  Ni51  1  0.503003  0.332528  0.473548  1
  Ni  Ni52  1  1.003003  0.870907  0.525685  1
  Ni  Ni53  1  1.003003  0.640193  0.483977  1
  Ni  Ni54  1  1.003003  0.255551  0.504822  1
  Ni  Ni55  1  0.503003  0.140180  0.483940  1
  Ni  Ni56  1  0.503003  0.755544  0.504831  1
  Ni  Ni57  1  0.503003  0.370942  0.525706  1
  Ni  Ni58  1  0.503003  0.793910  0.556979  1
  Ni  Ni59  1  0.503003  0.409372  0.577851  1
  Ni  Ni60  1  0.503003  0.178593  0.536118  1
  Ni  Ni61  1  1.003003  0.716952  0.588332  1
  Ni  Ni62  1  1.003003  0.486335  0.546602  1
  Ni  Ni63  1  1.003003  0.101655  0.567418  1
  Ni  Ni64  1  0.503003  0.986281  0.546543  1
  Ni  Ni65  1  0.503003  0.601667  0.567508  1
  Ni  Ni66  1  0.503003  0.216987  0.588291  1
  Ni  Ni67  1  0.503003  0.640220  0.619784  1
  Ni  Ni68  1  0.503003  0.255385  0.640576  1
  Ni  Ni69  1  0.503003  0.024719  0.598692  1
  Ni  Ni70  1  1.003003  0.563144  0.651060  1
  Ni  Ni71  1  1.003003  0.332287  0.609064  1
  Ni  Ni72  1  1.003003  0.947805  0.629987  1
  Ni  Ni73  1  0.503003  0.832343  0.609076  1
  Ni  Ni74  1  0.503003  0.447874  0.630024  1
  Ni  Ni75  1  0.503003  0.063309  0.650866  1
  Ni  Ni76  1  0.503003  0.484361  0.681937  1
  Ni  Ni77  1  0.503003  0.099107  0.702231  1
  Ni  Ni78  1  0.503003  0.870545  0.661063  1
  Ni  Ni79  1  1.003003  0.405655  0.711887  1
  Ni  Ni80  1  1.003003  0.178448  0.671910  1
  Ni  Ni81  1  1.003003  0.793847  0.692344  1
  Ni  Ni82  1  0.503003  0.678599  0.671859  1
  Ni  Ni83  1  0.503003  0.292115  0.692336  1
  Ni  Ni84  1  0.503003  0.908954  0.711948  1
