# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44163067
_cell_length_b   12.47575011
_cell_length_c   46.19627219
_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   1983.52583511
_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  1.002854  0.526853  0.326710  1
  Fe  Fe2  1  1.002854  0.295039  0.285720  1
  Fe  Fe3  1  1.002854  0.911367  0.306225  1
  Fe  Fe4  1  1.002854  0.372522  0.389288  1
  Fe  Fe5  1  1.002854  0.141843  0.347631  1
  Fe  Fe6  1  1.002854  0.757120  0.368610  1
  Fe  Fe7  1  1.002854  0.218339  0.451827  1
  Fe  Fe8  1  1.002854  0.987883  0.410213  1
  Fe  Fe9  1  1.002854  0.602982  0.430973  1
  Fe  Fe10  1  1.002854  0.064219  0.514390  1
  Fe  Fe11  1  1.002854  0.833630  0.472717  1
  Fe  Fe12  1  1.002854  0.448885  0.493504  1
  Fe  Fe13  1  1.002854  0.910016  0.576850  1
  Fe  Fe14  1  1.002854  0.679431  0.535199  1
  Fe  Fe15  1  1.002854  0.294742  0.556033  1
  Fe  Fe16  1  1.002854  0.755957  0.639401  1
  Fe  Fe17  1  1.002854  0.525297  0.597723  1
  Fe  Fe18  1  1.002854  0.140704  0.618662  1
  Fe  Fe19  1  1.002854  0.601746  0.701775  1
  Fe  Fe20  1  1.002854  0.370730  0.660116  1
  Fe  Fe21  1  1.002854  0.986523  0.680819  1
  Ni  Ni22  1  0.502854  0.412823  0.305183  1
  Ni  Ni23  1  0.502854  0.026224  0.326571  1
  Ni  Ni24  1  0.502854  0.797904  0.285936  1
  Ni  Ni25  1  1.002854  0.334546  0.337313  1
  Ni  Ni26  1  1.002854  0.102606  0.295390  1
  Ni  Ni27  1  1.002854  0.718916  0.316442  1
  Ni  Ni28  1  0.502854  0.604019  0.295519  1
  Ni  Ni29  1  0.502854  0.218267  0.316413  1
  Ni  Ni30  1  0.502854  0.834185  0.337606  1
  Ni  Ni31  1  0.502854  0.257179  0.368443  1
  Ni  Ni32  1  0.502854  0.872532  0.389469  1
  Ni  Ni33  1  0.502854  0.641952  0.347694  1
  Ni  Ni34  1  1.002854  0.180142  0.399717  1
  Ni  Ni35  1  1.002854  0.949644  0.358175  1
  Ni  Ni36  1  1.002854  0.564715  0.378823  1
  Ni  Ni37  1  0.502854  0.449530  0.357877  1
  Ni  Ni38  1  0.502854  0.064810  0.378842  1
  Ni  Ni39  1  0.502854  0.680049  0.399778  1
  Ni  Ni40  1  0.502854  0.103103  0.430996  1
  Ni  Ni41  1  0.502854  0.718304  0.451860  1
  Ni  Ni42  1  0.502854  0.487730  0.410093  1
  Ni  Ni43  1  1.002854  0.026029  0.462295  1
  Ni  Ni44  1  1.002854  0.795431  0.420656  1
  Ni  Ni45  1  1.002854  0.410677  0.441394  1
  Ni  Ni46  1  0.502854  0.295418  0.420554  1
  Ni  Ni47  1  0.502854  0.910763  0.441485  1
  Ni  Ni48  1  0.502854  0.525941  0.462234  1
  Ni  Ni49  1  0.502854  0.948934  0.493552  1
  Ni  Ni50  1  0.502854  0.564159  0.514353  1
  Ni  Ni51  1  0.502854  0.333609  0.472664  1
  Ni  Ni52  1  1.002854  0.871821  0.524786  1
  Ni  Ni53  1  1.002854  0.641223  0.483091  1
  Ni  Ni54  1  1.002854  0.256542  0.503934  1
  Ni  Ni55  1  0.502854  0.141282  0.483110  1
  Ni  Ni56  1  0.502854  0.756509  0.503946  1
  Ni  Ni57  1  0.502854  0.371818  0.524770  1
  Ni  Ni58  1  0.502854  0.794710  0.556024  1
  Ni  Ni59  1  0.502854  0.410026  0.576872  1
  Ni  Ni60  1  0.502854  0.179479  0.535218  1
  Ni  Ni61  1  1.002854  0.717617  0.587306  1
  Ni  Ni62  1  1.002854  0.487098  0.545615  1
  Ni  Ni63  1  1.002854  0.102439  0.566504  1
  Ni  Ni64  1  0.502854  0.987144  0.545633  1
  Ni  Ni65  1  0.502854  0.602386  0.566476  1
  Ni  Ni66  1  0.502854  0.217657  0.587330  1
  Ni  Ni67  1  0.502854  0.640612  0.618639  1
  Ni  Ni68  1  0.502854  0.255827  0.639457  1
  Ni  Ni69  1  0.502854  0.025377  0.597716  1
  Ni  Ni70  1  1.002854  0.563424  0.649766  1
  Ni  Ni71  1  1.002854  0.332906  0.608104  1
  Ni  Ni72  1  1.002854  0.948259  0.628903  1
  Ni  Ni73  1  0.502854  0.832882  0.608072  1
  Ni  Ni74  1  0.502854  0.448139  0.628991  1
  Ni  Ni75  1  0.502854  0.063491  0.649779  1
  Ni  Ni76  1  0.502854  0.486613  0.680988  1
  Ni  Ni77  1  0.502854  0.100469  0.702034  1
  Ni  Ni78  1  0.502854  0.871310  0.660001  1
  Ni  Ni79  1  1.002854  0.410278  0.711546  1
  Ni  Ni80  1  1.002854  0.178919  0.670945  1
  Ni  Ni81  1  1.002854  0.793810  0.691987  1
  Ni  Ni82  1  0.502854  0.679688  0.670876  1
  Ni  Ni83  1  0.502854  0.293548  0.692014  1
  Ni  Ni84  1  0.502854  0.909732  0.711464  1
