# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53005336
_cell_length_b   7.15945743
_cell_length_c   46.34102257
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.14592960
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe40 Ni40'
_cell_volume   1812.8786004
_cell_formula_units_Z   40
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  0.635727  0.167801  0.277189  1
  Fe  Fe2  1  0.141256  0.672852  0.277299  1
  Fe  Fe3  1  0.063502  0.102798  0.297409  1
  Fe  Fe4  1  0.550851  0.613018  0.299489  1
  Fe  Fe5  1  0.459913  0.065106  0.322748  1
  Fe  Fe6  1  0.960244  0.567423  0.323246  1
  Fe  Fe7  1  0.872259  0.013954  0.345325  1
  Fe  Fe8  1  0.372668  0.513469  0.345631  1
  Fe  Fe9  1  0.281161  0.967272  0.368553  1
  Fe  Fe10  1  0.781606  0.466354  0.368350  1
  Fe  Fe11  1  0.691488  0.916826  0.391066  1
  Fe  Fe12  1  0.191435  0.415829  0.390839  1
  Fe  Fe13  1  0.101194  0.868521  0.413880  1
  Fe  Fe14  1  0.601141  0.367999  0.413709  1
  Fe  Fe15  1  0.511145  0.818788  0.436499  1
  Fe  Fe16  1  0.011048  0.318665  0.436443  1
  Fe  Fe17  1  0.921004  0.770013  0.459239  1
  Fe  Fe18  1  0.420967  0.270139  0.459258  1
  Fe  Fe19  1  0.330828  0.720761  0.481933  1
  Fe  Fe20  1  0.830809  0.220880  0.481957  1
  Fe  Fe21  1  0.740688  0.671997  0.504697  1
  Fe  Fe22  1  0.240691  0.171973  0.504695  1
  Fe  Fe23  1  0.150529  0.622908  0.527424  1
  Fe  Fe24  1  0.650563  0.122792  0.527400  1
  Fe  Fe25  1  0.560367  0.573976  0.550147  1
  Fe  Fe26  1  0.060429  0.073952  0.550163  1
  Fe  Fe27  1  0.970287  0.524686  0.572831  1
  Fe  Fe28  1  0.470314  0.024950  0.572917  1
  Fe  Fe29  1  0.379996  0.475642  0.595518  1
  Fe  Fe30  1  0.880139  0.976391  0.595726  1
  Fe  Fe31  1  0.790221  0.426340  0.618222  1
  Fe  Fe32  1  0.290047  0.927066  0.618440  1
  Fe  Fe33  1  0.199482  0.377908  0.641111  1
  Fe  Fe34  1  0.699359  0.878531  0.641058  1
  Fe  Fe35  1  0.610546  0.328627  0.663816  1
  Fe  Fe36  1  0.109872  0.828130  0.663669  1
  Fe  Fe37  1  0.017647  0.281610  0.687605  1
  Fe  Fe38  1  0.518330  0.778969  0.686112  1
  Fe  Fe39  1  0.430437  0.229326  0.709967  1
  Fe  Fe40  1  0.934638  0.724115  0.709760  1
  Ni  Ni41  1  0.213809  0.813858  0.323207  1
  Ni  Ni42  1  0.895011  0.413756  0.278062  1
  Ni  Ni43  1  0.795299  0.864501  0.299765  1
  Ni  Ni44  1  0.297961  0.365790  0.300072  1
  Ni  Ni45  1  0.032370  0.716379  0.368489  1
  Ni  Ni46  1  0.715239  0.313110  0.322789  1
  Ni  Ni47  1  0.620145  0.765402  0.345671  1
  Ni  Ni48  1  0.119698  0.264468  0.345088  1
  Ni  Ni49  1  0.851675  0.617844  0.413777  1
  Ni  Ni50  1  0.532391  0.215379  0.368190  1
  Ni  Ni51  1  0.440928  0.667003  0.391051  1
  Ni  Ni52  1  0.940690  0.166888  0.390943  1
  Ni  Ni53  1  0.671085  0.519866  0.459207  1
  Ni  Ni54  1  0.351611  0.118129  0.413852  1
  Ni  Ni55  1  0.260897  0.568719  0.436421  1
  Ni  Ni56  1  0.760868  0.069058  0.436515  1
  Ni  Ni57  1  0.490731  0.421959  0.504695  1
  Ni  Ni58  1  0.171105  0.020031  0.459275  1
  Ni  Ni59  1  0.080700  0.470907  0.481937  1
  Ni  Ni60  1  0.580756  0.970899  0.481956  1
  Ni  Ni61  1  0.310460  0.323783  0.550117  1
  Ni  Ni62  1  0.990786  0.921899  0.504700  1
  Ni  Ni63  1  0.900475  0.372882  0.527397  1
  Ni  Ni64  1  0.400505  0.872923  0.527428  1
  Ni  Ni65  1  0.130324  0.225785  0.595629  1
  Ni  Ni66  1  0.810483  0.824024  0.550195  1
  Ni  Ni67  1  0.720223  0.274759  0.572831  1
  Ni  Ni68  1  0.220143  0.775064  0.572917  1
  Ni  Ni69  1  0.950601  0.128427  0.641320  1
  Ni  Ni70  1  0.630195  0.725931  0.595602  1
  Ni  Ni71  1  0.539738  0.177163  0.618398  1
  Ni  Ni72  1  0.039753  0.676772  0.618268  1
  Ni  Ni73  1  0.770420  0.029477  0.686594  1
  Ni  Ni74  1  0.450126  0.627084  0.640849  1
  Ni  Ni75  1  0.358635  0.079957  0.664006  1
  Ni  Ni76  1  0.859471  0.578810  0.663601  1
  Ni  Ni77  1  0.591890  0.927160  0.730486  1
  Ni  Ni78  1  0.271076  0.529060  0.686565  1
  Ni  Ni79  1  0.177736  0.978398  0.709442  1
  Ni  Ni80  1  0.675553  0.482695  0.709398  1
