# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46952043
_cell_length_b   8.14436234
_cell_length_c   48.28639833
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   130.06799528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe72 Ni72'
_cell_volume   3150.86405183
_cell_formula_units_Z   72
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  0.050233  0.098787  0.288142  1
  Fe  Fe2  1  0.716900  0.098787  0.288142  1
  Fe  Fe3  1  0.766395  0.864321  0.308147  1
  Fe  Fe4  1  0.383566  0.098787  0.288142  1
  Fe  Fe5  1  0.433062  0.864321  0.308147  1
  Fe  Fe6  1  0.335687  0.336324  0.268783  1
  Fe  Fe7  1  0.099728  0.864321  0.308147  1
  Fe  Fe8  1  0.002353  0.336324  0.268783  1
  Fe  Fe9  1  0.669020  0.336324  0.268783  1
  Fe  Fe10  1  0.197624  0.393367  0.347521  1
  Fe  Fe11  1  0.864291  0.393367  0.347521  1
  Fe  Fe12  1  0.913355  0.158106  0.367061  1
  Fe  Fe13  1  0.530958  0.393367  0.347521  1
  Fe  Fe14  1  0.580022  0.158106  0.367061  1
  Fe  Fe15  1  0.481701  0.628223  0.327976  1
  Fe  Fe16  1  0.246689  0.158106  0.367061  1
  Fe  Fe17  1  0.148368  0.628223  0.327976  1
  Fe  Fe18  1  0.815034  0.628223  0.327976  1
  Fe  Fe19  1  0.344850  0.687659  0.406294  1
  Fe  Fe20  1  0.011516  0.687659  0.406294  1
  Fe  Fe21  1  0.060509  0.452263  0.425972  1
  Fe  Fe22  1  0.678183  0.687659  0.406294  1
  Fe  Fe23  1  0.727176  0.452263  0.425972  1
  Fe  Fe24  1  0.629133  0.922940  0.386623  1
  Fe  Fe25  1  0.393843  0.452263  0.425972  1
  Fe  Fe26  1  0.295800  0.922940  0.386623  1
  Fe  Fe27  1  0.962466  0.922940  0.386623  1
  Fe  Fe28  1  0.491995  0.981798  0.465177  1
  Fe  Fe29  1  0.158661  0.981798  0.465177  1
  Fe  Fe30  1  0.207740  0.746573  0.484777  1
  Fe  Fe31  1  0.825328  0.981798  0.465177  1
  Fe  Fe32  1  0.874407  0.746573  0.484777  1
  Fe  Fe33  1  0.776238  0.217004  0.445589  1
  Fe  Fe34  1  0.541074  0.746573  0.484777  1
  Fe  Fe35  1  0.442905  0.217004  0.445589  1
  Fe  Fe36  1  0.109571  0.217004  0.445589  1
  Fe  Fe37  1  0.639138  0.275936  0.524082  1
  Fe  Fe38  1  0.305804  0.275936  0.524082  1
  Fe  Fe39  1  0.354856  0.040655  0.543717  1
  Fe  Fe40  1  0.972471  0.275936  0.524082  1
  Fe  Fe41  1  0.021523  0.040655  0.543717  1
  Fe  Fe42  1  0.923447  0.511270  0.504419  1
  Fe  Fe43  1  0.688189  0.040655  0.543717  1
  Fe  Fe44  1  0.590114  0.511270  0.504419  1
  Fe  Fe45  1  0.256781  0.511270  0.504419  1
  Fe  Fe46  1  0.786414  0.570335  0.582841  1
  Fe  Fe47  1  0.453081  0.570335  0.582841  1
  Fe  Fe48  1  0.502055  0.334903  0.602521  1
  Fe  Fe49  1  0.119748  0.570335  0.582841  1
  Fe  Fe50  1  0.168722  0.334903  0.602521  1
  Fe  Fe51  1  0.070642  0.805507  0.563287  1
  Fe  Fe52  1  0.835389  0.334903  0.602521  1
  Fe  Fe53  1  0.737308  0.805507  0.563287  1
  Fe  Fe54  1  0.403975  0.805507  0.563287  1
  Fe  Fe55  1  0.933347  0.864058  0.641952  1
  Fe  Fe56  1  0.600013  0.864058  0.641952  1
  Fe  Fe57  1  0.649235  0.629103  0.661362  1
  Fe  Fe58  1  0.266680  0.864058  0.641952  1
  Fe  Fe59  1  0.315902  0.629103  0.661362  1
  Fe  Fe60  1  0.217724  0.099525  0.622269  1
  Fe  Fe61  1  0.982569  0.629103  0.661362  1
  Fe  Fe62  1  0.884391  0.099525  0.622269  1
  Fe  Fe63  1  0.551057  0.099525  0.622269  1
  Fe  Fe64  1  0.080153  0.157546  0.700607  1
  Fe  Fe65  1  0.746820  0.157546  0.700607  1
  Fe  Fe66  1  0.795662  0.921872  0.721063  1
  Fe  Fe67  1  0.413487  0.157546  0.700607  1
  Fe  Fe68  1  0.462329  0.921872  0.721063  1
  Fe  Fe69  1  0.365257  0.394409  0.680598  1
  Fe  Fe70  1  0.128995  0.921872  0.721063  1
  Fe  Fe71  1  0.031924  0.394409  0.680598  1
  Fe  Fe72  1  0.698590  0.394409  0.680598  1
  Ni  Ni73  1  0.859382  0.717006  0.278934  1
  Ni  Ni74  1  0.526049  0.717006  0.278934  1
  Ni  Ni75  1  0.575104  0.481759  0.298462  1
  Ni  Ni76  1  0.192716  0.717006  0.278934  1
  Ni  Ni77  1  0.241770  0.481759  0.298462  1
  Ni  Ni78  1  0.290627  0.246128  0.318029  1
  Ni  Ni79  1  0.908437  0.481759  0.298462  1
  Ni  Ni80  1  0.957294  0.246128  0.318029  1
  Ni  Ni81  1  0.623961  0.246128  0.318029  1
  Ni  Ni82  1  0.006580  0.011294  0.337504  1
  Ni  Ni83  1  0.673247  0.011294  0.337504  1
  Ni  Ni84  1  0.722289  0.775993  0.357213  1
  Ni  Ni85  1  0.339913  0.011294  0.337504  1
  Ni  Ni86  1  0.388956  0.775993  0.357213  1
  Ni  Ni87  1  0.437846  0.540396  0.376945  1
  Ni  Ni88  1  0.055623  0.775993  0.357213  1
  Ni  Ni89  1  0.104513  0.540396  0.376945  1
  Ni  Ni90  1  0.771180  0.540396  0.376945  1
  Ni  Ni91  1  0.153565  0.305118  0.396542  1
  Ni  Ni92  1  0.820232  0.305118  0.396542  1
  Ni  Ni93  1  0.869332  0.069933  0.416117  1
  Ni  Ni94  1  0.486899  0.305118  0.396542  1
  Ni  Ni95  1  0.535999  0.069933  0.416117  1
  Ni  Ni96  1  0.585101  0.834752  0.435716  1
  Ni  Ni97  1  0.202666  0.069933  0.416117  1
  Ni  Ni98  1  0.251767  0.834752  0.435716  1
  Ni  Ni99  1  0.918434  0.834752  0.435716  1
  Ni  Ni100  1  0.300812  0.599459  0.455362  1
  Ni  Ni101  1  0.967479  0.599459  0.455362  1
  Ni  Ni102  1  0.016496  0.364110  0.475018  1
  Ni  Ni103  1  0.634146  0.599459  0.455362  1
  Ni  Ni104  1  0.683163  0.364110  0.475018  1
  Ni  Ni105  1  0.732220  0.128842  0.494643  1
  Ni  Ni106  1  0.349829  0.364110  0.475018  1
  Ni  Ni107  1  0.398887  0.128842  0.494643  1
  Ni  Ni108  1  0.065554  0.128842  0.494643  1
  Ni  Ni109  1  0.447986  0.893656  0.514236  1
  Ni  Ni110  1  0.114653  0.893656  0.514236  1
  Ni  Ni111  1  0.163735  0.658437  0.533827  1
  Ni  Ni112  1  0.781320  0.893656  0.514236  1
  Ni  Ni113  1  0.830402  0.658437  0.533827  1
  Ni  Ni114  1  0.879410  0.423071  0.553472  1
  Ni  Ni115  1  0.497069  0.658437  0.533827  1
  Ni  Ni116  1  0.546077  0.423071  0.553472  1
  Ni  Ni117  1  0.212743  0.423071  0.553472  1
  Ni  Ni118  1  0.595081  0.187697  0.573156  1
  Ni  Ni119  1  0.261748  0.187697  0.573156  1
  Ni  Ni120  1  0.310819  0.952455  0.592808  1
  Ni  Ni121  1  0.928415  0.187697  0.573156  1
  Ni  Ni122  1  0.977486  0.952455  0.592808  1
  Ni  Ni123  1  0.026692  0.717482  0.612338  1
  Ni  Ni124  1  0.644153  0.952455  0.592808  1
  Ni  Ni125  1  0.693358  0.717482  0.612338  1
  Ni  Ni126  1  0.360025  0.717482  0.612338  1
  Ni  Ni127  1  0.742485  0.482351  0.631811  1
  Ni  Ni128  1  0.409152  0.482351  0.631811  1
  Ni  Ni129  1  0.457881  0.246425  0.651580  1
  Ni  Ni130  1  0.075819  0.482351  0.631811  1
  Ni  Ni131  1  0.124548  0.246425  0.651580  1
  Ni  Ni132  1  0.173644  0.011256  0.671390  1
  Ni  Ni133  1  0.791214  0.246425  0.651580  1
  Ni  Ni134  1  0.840310  0.011256  0.671390  1
  Ni  Ni135  1  0.506977  0.011256  0.671390  1
  Ni  Ni136  1  0.889062  0.775358  0.691142  1
  Ni  Ni137  1  0.555729  0.775358  0.691142  1
  Ni  Ni138  1  0.605189  0.540829  0.710588  1
  Ni  Ni139  1  0.222395  0.775358  0.691142  1
  Ni  Ni140  1  0.271856  0.540829  0.710588  1
  Ni  Ni141  1  0.321661  0.307152  0.729163  1
  Ni  Ni142  1  0.938522  0.540829  0.710588  1
  Ni  Ni143  1  0.988328  0.307152  0.729163  1
  Ni  Ni144  1  0.654994  0.307152  0.729163  1
