# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89147475
_cell_length_b   7.71975249
_cell_length_c   46.19769214
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe18 Ni54'
_cell_volume   1654.94942714
_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  0.878862  0.380990  0.281401  1
  Fe  Fe2  1  0.099016  0.821284  0.305636  1
  Fe  Fe3  1  0.321088  0.265586  0.330752  1
  Fe  Fe4  1  0.544074  0.711672  0.355840  1
  Fe  Fe5  1  0.765407  0.154491  0.380663  1
  Fe  Fe6  1  0.987731  0.599261  0.405775  1
  Fe  Fe7  1  0.209815  0.043554  0.430740  1
  Fe  Fe8  1  0.431820  0.487702  0.455723  1
  Fe  Fe9  1  0.653928  0.932044  0.480742  1
  Fe  Fe10  1  0.876002  0.376321  0.505737  1
  Fe  Fe11  1  0.098070  0.820590  0.530746  1
  Fe  Fe12  1  0.320047  0.264675  0.555723  1
  Fe  Fe13  1  0.542369  0.709438  0.580774  1
  Fe  Fe14  1  0.764188  0.153225  0.605712  1
  Fe  Fe15  1  0.986097  0.597168  0.630605  1
  Fe  Fe16  1  0.209039  0.043156  0.656248  1
  Fe  Fe17  1  0.430304  0.485831  0.680154  1
  Fe  Fe18  1  0.651001  0.927445  0.705497  1
  Ni  Ni19  1  0.210777  0.544696  0.318598  1
  Ni  Ni20  1  0.989825  0.101111  0.292789  1
  Ni  Ni21  1  0.380293  0.383855  0.281314  1
  Ni  Ni22  1  0.597657  0.818578  0.304742  1
  Ni  Ni23  1  0.710570  0.544705  0.318598  1
  Ni  Ni24  1  0.488105  0.101116  0.292788  1
  Ni  Ni25  1  0.654471  0.432819  0.368266  1
  Ni  Ni26  1  0.432852  0.988005  0.342964  1
  Ni  Ni27  1  0.821081  0.265575  0.330824  1
  Ni  Ni28  1  0.043950  0.711425  0.355892  1
  Ni  Ni29  1  0.154739  0.432817  0.368266  1
  Ni  Ni30  1  0.931682  0.988001  0.342965  1
  Ni  Ni31  1  0.098660  0.321198  0.418199  1
  Ni  Ni32  1  0.876852  0.877317  0.393264  1
  Ni  Ni33  1  0.265391  0.154458  0.380646  1
  Ni  Ni34  1  0.487747  0.599293  0.405755  1
  Ni  Ni35  1  0.598670  0.321198  0.418199  1
  Ni  Ni36  1  0.376740  0.877318  0.393264  1
  Ni  Ni37  1  0.542895  0.209906  0.468235  1
  Ni  Ni38  1  0.320848  0.765672  0.443252  1
  Ni  Ni39  1  0.709815  0.043556  0.430741  1
  Ni  Ni40  1  0.931815  0.487690  0.455733  1
  Ni  Ni41  1  0.042889  0.209906  0.468235  1
  Ni  Ni42  1  0.820831  0.765672  0.443252  1
  Ni  Ni43  1  0.987009  0.098405  0.518231  1
  Ni  Ni44  1  0.764940  0.654160  0.493239  1
  Ni  Ni45  1  0.153924  0.932036  0.480741  1
  Ni  Ni46  1  0.376000  0.376316  0.505738  1
  Ni  Ni47  1  0.487010  0.098405  0.518231  1
  Ni  Ni48  1  0.264965  0.654160  0.493239  1
  Ni  Ni49  1  0.431106  0.986984  0.568254  1
  Ni  Ni50  1  0.209170  0.542766  0.543248  1
  Ni  Ni51  1  0.598073  0.820595  0.530747  1
  Ni  Ni52  1  0.820083  0.264747  0.555709  1
  Ni  Ni53  1  0.931232  0.986984  0.568254  1
  Ni  Ni54  1  0.709087  0.542767  0.543248  1
  Ni  Ni55  1  0.875916  0.876205  0.618376  1
  Ni  Ni56  1  0.653037  0.430994  0.593174  1
  Ni  Ni57  1  0.042325  0.709350  0.580766  1
  Ni  Ni58  1  0.264110  0.153068  0.605796  1
  Ni  Ni59  1  0.375399  0.876208  0.618376  1
  Ni  Ni60  1  0.153179  0.430993  0.593174  1
  Ni  Ni61  1  0.319046  0.764208  0.668049  1
  Ni  Ni62  1  0.096773  0.318792  0.643157  1
  Ni  Ni63  1  0.486328  0.597627  0.630574  1
  Ni  Ni64  1  0.709078  0.043237  0.656027  1
  Ni  Ni65  1  0.819986  0.764211  0.668050  1
  Ni  Ni66  1  0.596973  0.318788  0.643157  1
  Ni  Ni67  1  0.759583  0.646975  0.717533  1
  Ni  Ni68  1  0.542597  0.211151  0.694323  1
  Ni  Ni69  1  0.930265  0.485743  0.680356  1
  Ni  Ni70  1  0.151476  0.928390  0.706206  1
  Ni  Ni71  1  0.262135  0.647000  0.717535  1
  Ni  Ni72  1  0.043260  0.211162  0.694322  1
