# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99182209
_cell_length_b   4.99182209
_cell_length_c   46.96995492
_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   'Fe10 Ni30'
_cell_volume   1013.6055308
_cell_formula_units_Z   10
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  0.334177  0.667229  0.305034  1
  Fe  Fe2  1  0.667510  0.333896  0.346923  1
  Fe  Fe3  1  0.000844  1.000562  0.391066  1
  Fe  Fe4  1  0.334177  0.667229  0.434226  1
  Fe  Fe5  1  0.667510  0.333896  0.477831  1
  Fe  Fe6  1  1.000844  1.000562  0.521202  1
  Fe  Fe7  1  0.334177  0.667229  0.564806  1
  Fe  Fe8  1  0.667510  0.333896  0.607966  1
  Fe  Fe9  1  1.000844  1.000562  0.652109  1
  Fe  Fe10  1  0.334177  0.667229  0.693998  1
  Ni  Ni11  1  0.337201  0.168741  0.303361  1
  Ni  Ni12  1  0.832665  0.664205  0.303361  1
  Ni  Ni13  1  0.832665  0.168741  0.303361  1
  Ni  Ni14  1  0.669904  0.835093  0.347609  1
  Ni  Ni15  1  0.166314  0.331502  0.347609  1
  Ni  Ni16  1  0.166314  0.835093  0.347609  1
  Ni  Ni17  1  1.000107  0.500194  0.390746  1
  Ni  Ni18  1  0.501212  0.001299  0.390746  1
  Ni  Ni19  1  0.501212  0.500194  0.390746  1
  Ni  Ni20  1  0.334549  0.167415  0.434356  1
  Ni  Ni21  1  0.833991  0.666857  0.434356  1
  Ni  Ni22  1  0.833991  0.167415  0.434356  1
  Ni  Ni23  1  0.667323  0.833802  0.477761  1
  Ni  Ni24  1  0.167604  0.334083  0.477761  1
  Ni  Ni25  1  0.167604  0.833802  0.477761  1
  Ni  Ni26  1  0.001031  0.500656  0.521271  1
  Ni  Ni27  1  0.500750  1.000376  0.521271  1
  Ni  Ni28  1  0.500750  0.500656  0.521271  1
  Ni  Ni29  1  0.333805  0.167043  0.564676  1
  Ni  Ni30  1  0.834363  0.667601  0.564676  1
  Ni  Ni31  1  0.834363  0.167043  0.564676  1
  Ni  Ni32  1  0.668247  0.834264  0.608286  1
  Ni  Ni33  1  0.167142  0.333159  0.608286  1
  Ni  Ni34  1  0.167142  0.834264  0.608286  1
  Ni  Ni35  1  0.998450  0.499366  0.651423  1
  Ni  Ni36  1  0.502041  0.002956  0.651423  1
  Ni  Ni37  1  0.502041  0.499366  0.651423  1
  Ni  Ni38  1  0.331153  0.165717  0.695671  1
  Ni  Ni39  1  0.835689  0.670253  0.695671  1
  Ni  Ni40  1  0.835689  0.165717  0.695671  1
