# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89219527
_cell_length_b   4.89219527
_cell_length_c   47.98553263
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe11 Ni33'
_cell_volume   994.600145645
_cell_formula_units_Z   11
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  0.333760  0.666951  0.291866  1
  Fe  Fe2  1  0.667093  0.333618  0.333004  1
  Fe  Fe3  1  0.000427  1.000284  0.374832  1
  Fe  Fe4  1  0.333760  0.666951  0.416409  1
  Fe  Fe5  1  0.667093  0.333618  0.458093  1
  Fe  Fe6  1  0.000427  1.000284  0.499742  1
  Fe  Fe7  1  0.333760  0.666951  0.541391  1
  Fe  Fe8  1  0.667093  0.333618  0.583075  1
  Fe  Fe9  1  0.000427  1.000284  0.624653  1
  Fe  Fe10  1  0.333760  0.666951  0.666481  1
  Fe  Fe11  1  0.667093  0.333618  0.707619  1
  Ni  Ni12  1  0.334044  0.167093  0.291160  1
  Ni  Ni13  1  0.833618  0.666668  0.291160  1
  Ni  Ni14  1  0.833618  0.167093  0.291160  1
  Ni  Ni15  1  0.667791  0.833967  0.333172  1
  Ni  Ni16  1  0.166745  0.332920  0.333172  1
  Ni  Ni17  1  0.166745  0.833967  0.333172  1
  Ni  Ni18  1  1.000261  0.500201  0.374753  1
  Ni  Ni19  1  0.500510  0.000451  0.374753  1
  Ni  Ni20  1  0.500510  0.500201  0.374753  1
  Ni  Ni21  1  0.333840  0.166991  0.416438  1
  Ni  Ni22  1  0.833720  0.666872  0.416438  1
  Ni  Ni23  1  0.833720  0.166991  0.416438  1
  Ni  Ni24  1  0.667068  0.833605  0.458084  1
  Ni  Ni25  1  0.167106  0.333643  0.458084  1
  Ni  Ni26  1  0.167106  0.833605  0.458084  1
  Ni  Ni27  1  0.000427  0.500284  0.499742  1
  Ni  Ni28  1  0.500427  1.000284  0.499742  1
  Ni  Ni29  1  0.500427  0.500284  0.499742  1
  Ni  Ni30  1  0.333785  0.166964  0.541401  1
  Ni  Ni31  1  0.833748  0.666926  0.541401  1
  Ni  Ni32  1  0.833748  0.166964  0.541401  1
  Ni  Ni33  1  0.667014  0.833578  0.583047  1
  Ni  Ni34  1  0.167133  0.333697  0.583047  1
  Ni  Ni35  1  0.167133  0.833578  0.583047  1
  Ni  Ni36  1  0.000593  0.500368  0.624732  1
  Ni  Ni37  1  0.500344  1.000118  0.624732  1
  Ni  Ni38  1  0.500344  0.500368  0.624732  1
  Ni  Ni39  1  0.333063  0.166602  0.666312  1
  Ni  Ni40  1  0.834109  0.667649  0.666312  1
  Ni  Ni41  1  0.834109  0.166602  0.666312  1
  Ni  Ni42  1  0.666810  0.833476  0.708325  1
  Ni  Ni43  1  0.167235  0.333901  0.708325  1
  Ni  Ni44  1  0.167235  0.833476  0.708325  1
