# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49711962
_cell_length_b   11.10967477
_cell_length_c   46.79105465
_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   'Fe18 Ni54'
_cell_volume   1817.91958042
_cell_formula_units_Z   18
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  1.002677  0.193823  0.338570  1
  Fe  Fe2  1  1.002677  0.894381  0.314035  1
  Fe  Fe3  1  1.002677  0.595831  0.290479  1
  Fe  Fe4  1  1.002677  0.092473  0.409546  1
  Fe  Fe5  1  1.002677  0.792740  0.385778  1
  Fe  Fe6  1  1.002677  0.492702  0.361876  1
  Fe  Fe7  1  1.002677  0.992092  0.481096  1
  Fe  Fe8  1  1.002677  0.692271  0.457256  1
  Fe  Fe9  1  1.002677  0.392517  0.433483  1
  Fe  Fe10  1  1.002677  0.891629  0.552621  1
  Fe  Fe11  1  1.002677  0.591889  0.528805  1
  Fe  Fe12  1  1.002677  0.291985  0.504952  1
  Fe  Fe13  1  1.002677  0.791465  0.624187  1
  Fe  Fe14  1  1.002677  0.491417  0.600314  1
  Fe  Fe15  1  1.002677  0.191552  0.576453  1
  Fe  Fe16  1  1.002677  0.688610  0.695648  1
  Fe  Fe17  1  1.002677  0.390534  0.671637  1
  Fe  Fe18  1  1.002677  0.090852  0.647688  1
  Ni  Ni19  1  0.502677  0.044523  0.326119  1
  Ni  Ni20  1  0.502677  0.744504  0.302999  1
  Ni  Ni21  1  0.502677  0.343003  0.350087  1
  Ni  Ni22  1  1.002677  0.099291  0.291762  1
  Ni  Ni23  1  1.002677  0.693046  0.338212  1
  Ni  Ni24  1  1.002677  0.393393  0.314361  1
  Ni  Ni25  1  0.502677  0.245092  0.302968  1
  Ni  Ni26  1  0.502677  0.843088  0.350060  1
  Ni  Ni27  1  0.502677  0.543123  0.326132  1
  Ni  Ni28  1  0.502677  0.942656  0.397648  1
  Ni  Ni29  1  0.502677  0.642502  0.373737  1
  Ni  Ni30  1  0.502677  0.242462  0.421546  1
  Ni  Ni31  1  1.002677  0.992699  0.361721  1
  Ni  Ni32  1  1.002677  0.592564  0.409560  1
  Ni  Ni33  1  1.002677  0.292919  0.385902  1
  Ni  Ni34  1  0.502677  0.142543  0.373807  1
  Ni  Ni35  1  0.502677  0.742427  0.421474  1
  Ni  Ni36  1  0.502677  0.442760  0.397715  1
  Ni  Ni37  1  0.502677  0.842154  0.469170  1
  Ni  Ni38  1  0.502677  0.542409  0.445364  1
  Ni  Ni39  1  0.502677  0.142033  0.493023  1
  Ni  Ni40  1  1.002677  0.892418  0.433421  1
  Ni  Ni41  1  1.002677  0.492185  0.481133  1
  Ni  Ni42  1  1.002677  0.192233  0.457267  1
  Ni  Ni43  1  0.502677  0.042327  0.445340  1
  Ni  Ni44  1  0.502677  0.642088  0.493041  1
  Ni  Ni45  1  0.502677  0.342212  0.469207  1
  Ni  Ni46  1  0.502677  0.741813  0.540727  1
  Ni  Ni47  1  0.502677  0.441938  0.516881  1
  Ni  Ni48  1  0.502677  0.041489  0.564498  1
  Ni  Ni49  1  1.002677  0.791965  0.504942  1
  Ni  Ni50  1  1.002677  0.391709  0.552633  1
  Ni  Ni51  1  1.002677  0.091811  0.528774  1
  Ni  Ni52  1  0.502677  0.941864  0.516845  1
  Ni  Ni53  1  0.502677  0.541652  0.564552  1
  Ni  Ni54  1  0.502677  0.241763  0.540707  1
  Ni  Ni55  1  0.502677  0.641315  0.612211  1
  Ni  Ni56  1  0.502677  0.341556  0.588399  1
  Ni  Ni57  1  0.502677  0.941364  0.636301  1
  Ni  Ni58  1  1.002677  0.691606  0.576488  1
  Ni  Ni59  1  1.002677  0.291501  0.624199  1
  Ni  Ni60  1  1.002677  0.991187  0.600275  1
  Ni  Ni61  1  0.502677  0.841515  0.588442  1
  Ni  Ni62  1  0.502677  0.441284  0.636135  1
  Ni  Ni63  1  0.502677  0.141233  0.612092  1
  Ni  Ni64  1  0.502677  0.538811  0.683603  1
  Ni  Ni65  1  0.502677  0.240142  0.659674  1
  Ni  Ni66  1  0.502677  0.838989  0.706441  1
  Ni  Ni67  1  1.002677  0.591278  0.647956  1
  Ni  Ni68  1  1.002677  0.189228  0.695010  1
  Ni  Ni69  1  1.002677  0.891029  0.672008  1
  Ni  Ni70  1  0.502677  0.740823  0.659861  1
  Ni  Ni71  1  0.502677  0.336640  0.706167  1
  Ni  Ni72  1  0.502677  0.040290  0.683774  1
