# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89622731
_cell_length_b   8.36189502
_cell_length_c   47.49323456
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.85430693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe72 Ni72'
_cell_volume   3337.57144915
_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  0.899746  0.624047  0.307968  1
  Fe  Fe2  1  0.270245  0.666051  0.294848  1
  Fe  Fe3  1  0.638549  0.716728  0.283278  1
  Fe  Fe4  1  0.899746  0.124047  0.307968  1
  Fe  Fe5  1  0.270245  0.166051  0.294848  1
  Fe  Fe6  1  0.638549  0.216728  0.283278  1
  Fe  Fe7  1  0.788468  0.484064  0.345037  1
  Fe  Fe8  1  0.158348  0.531127  0.333122  1
  Fe  Fe9  1  0.529941  0.573805  0.319928  1
  Fe  Fe10  1  0.788468  0.984064  0.345037  1
  Fe  Fe11  1  0.158348  0.031127  0.333122  1
  Fe  Fe12  1  0.529941  0.073805  0.319928  1
  Fe  Fe13  1  0.675672  0.349237  0.382226  1
  Fe  Fe14  1  0.046978  0.393663  0.369777  1
  Fe  Fe15  1  0.417074  0.439887  0.357579  1
  Fe  Fe16  1  0.675672  0.849237  0.382226  1
  Fe  Fe17  1  0.046978  0.893663  0.369777  1
  Fe  Fe18  1  0.417074  0.939887  0.357579  1
  Fe  Fe19  1  0.563815  0.213262  0.419087  1
  Fe  Fe20  1  0.934330  0.258745  0.406877  1
  Fe  Fe21  1  0.305436  0.303580  0.394393  1
  Fe  Fe22  1  0.563815  0.713262  0.419087  1
  Fe  Fe23  1  0.934330  0.758745  0.406877  1
  Fe  Fe24  1  0.305436  0.803580  0.394393  1
  Fe  Fe25  1  0.451583  0.077982  0.456217  1
  Fe  Fe26  1  0.822360  0.122937  0.443823  1
  Fe  Fe27  1  0.193010  0.168401  0.431557  1
  Fe  Fe28  1  0.451583  0.577982  0.456217  1
  Fe  Fe29  1  0.822360  0.622937  0.443823  1
  Fe  Fe30  1  0.193010  0.668401  0.431557  1
  Fe  Fe31  1  0.339521  0.942248  0.493191  1
  Fe  Fe32  1  0.710145  0.987555  0.480901  1
  Fe  Fe33  1  0.080954  0.032590  0.468516  1
  Fe  Fe34  1  0.339521  0.442248  0.493191  1
  Fe  Fe35  1  0.710145  0.487555  0.480901  1
  Fe  Fe36  1  0.080954  0.532590  0.468516  1
  Fe  Fe37  1  0.227273  0.806829  0.530256  1
  Fe  Fe38  1  0.598082  0.851865  0.517871  1
  Fe  Fe39  1  0.968706  0.897172  0.505581  1
  Fe  Fe40  1  0.227273  0.306829  0.530256  1
  Fe  Fe41  1  0.598082  0.351865  0.517871  1
  Fe  Fe42  1  0.968706  0.397172  0.505581  1
  Fe  Fe43  1  0.115217  0.671019  0.567215  1
  Fe  Fe44  1  0.485867  0.716483  0.554949  1
  Fe  Fe45  1  0.856644  0.761438  0.542555  1
  Fe  Fe46  1  0.115217  0.171019  0.567215  1
  Fe  Fe47  1  0.485867  0.216483  0.554949  1
  Fe  Fe48  1  0.856644  0.261438  0.542555  1
  Fe  Fe49  1  0.002791  0.535840  0.604379  1
  Fe  Fe50  1  0.373896  0.580674  0.591895  1
  Fe  Fe51  1  0.744412  0.626158  0.579685  1
  Fe  Fe52  1  0.002791  0.035840  0.604379  1
  Fe  Fe53  1  0.373896  0.080674  0.591895  1
  Fe  Fe54  1  0.744412  0.126158  0.579685  1
  Fe  Fe55  1  0.891153  0.399533  0.641194  1
  Fe  Fe56  1  0.261249  0.445757  0.628995  1
  Fe  Fe57  1  0.632555  0.490183  0.616546  1
  Fe  Fe58  1  0.891153  0.899533  0.641194  1
  Fe  Fe59  1  0.261249  0.945757  0.628995  1
  Fe  Fe60  1  0.632555  0.990183  0.616546  1
  Fe  Fe61  1  0.778285  0.265615  0.678844  1
  Fe  Fe62  1  0.149879  0.308293  0.665651  1
  Fe  Fe63  1  0.519759  0.355356  0.653735  1
  Fe  Fe64  1  0.778285  0.765615  0.678844  1
  Fe  Fe65  1  0.149879  0.808293  0.665651  1
  Fe  Fe66  1  0.519759  0.855356  0.653735  1
  Fe  Fe67  1  0.669677  0.122692  0.715494  1
  Fe  Fe68  1  0.037981  0.173369  0.703924  1
  Fe  Fe69  1  0.408480  0.215373  0.690805  1
  Fe  Fe70  1  0.669677  0.622692  0.715494  1
  Fe  Fe71  1  0.037981  0.673369  0.703924  1
  Fe  Fe72  1  0.408480  0.715373  0.690805  1
  Ni  Ni73  1  0.772678  0.418388  0.295337  1
  Ni  Ni74  1  0.138686  0.461632  0.284253  1
  Ni  Ni75  1  0.398642  0.371294  0.308125  1
  Ni  Ni76  1  0.772678  0.918388  0.295337  1
  Ni  Ni77  1  0.138686  0.961632  0.284253  1
  Ni  Ni78  1  0.398642  0.871294  0.308125  1
  Ni  Ni79  1  0.658415  0.279661  0.332958  1
  Ni  Ni80  1  0.030182  0.325520  0.320345  1
  Ni  Ni81  1  0.288653  0.234689  0.344895  1
  Ni  Ni82  1  0.658415  0.779661  0.332958  1
  Ni  Ni83  1  0.030182  0.825520  0.320345  1
  Ni  Ni84  1  0.288653  0.734689  0.344895  1
  Ni  Ni85  1  0.546767  0.144066  0.369597  1
  Ni  Ni86  1  0.916857  0.189329  0.357556  1
  Ni  Ni87  1  0.175829  0.099095  0.382269  1
  Ni  Ni88  1  0.546767  0.644066  0.369597  1
  Ni  Ni89  1  0.916857  0.689329  0.357556  1
  Ni  Ni90  1  0.175829  0.599095  0.382269  1
  Ni  Ni91  1  0.434402  0.008696  0.406873  1
  Ni  Ni92  1  0.805273  0.053729  0.394438  1
  Ni  Ni93  1  0.063882  0.963374  0.419149  1
  Ni  Ni94  1  0.434402  0.508696  0.406873  1
  Ni  Ni95  1  0.805273  0.553729  0.394438  1
  Ni  Ni96  1  0.063882  0.463374  0.419149  1
  Ni  Ni97  1  0.322426  0.873050  0.443812  1
  Ni  Ni98  1  0.692956  0.918245  0.431547  1
  Ni  Ni99  1  0.951553  0.827867  0.456219  1
  Ni  Ni100  1  0.322426  0.373050  0.443812  1
  Ni  Ni101  1  0.692956  0.418245  0.431547  1
  Ni  Ni102  1  0.951553  0.327867  0.456219  1
  Ni  Ni103  1  0.210153  0.737517  0.480896  1
  Ni  Ni104  1  0.580937  0.782663  0.468499  1
  Ni  Ni105  1  0.839500  0.692275  0.493197  1
  Ni  Ni106  1  0.210153  0.237517  0.480896  1
  Ni  Ni107  1  0.580937  0.282663  0.468499  1
  Ni  Ni108  1  0.839500  0.192275  0.493197  1
  Ni  Ni109  1  0.098074  0.601903  0.517876  1
  Ni  Ni110  1  0.468726  0.647144  0.505575  1
  Ni  Ni111  1  0.727290  0.556757  0.530273  1
  Ni  Ni112  1  0.098074  0.101903  0.517876  1
  Ni  Ni113  1  0.468726  0.147144  0.505575  1
  Ni  Ni114  1  0.727290  0.056757  0.530273  1
  Ni  Ni115  1  0.985801  0.466370  0.554960  1
  Ni  Ni116  1  0.356674  0.511553  0.542553  1
  Ni  Ni117  1  0.615270  0.421174  0.567226  1
  Ni  Ni118  1  0.985801  0.966370  0.554960  1
  Ni  Ni119  1  0.356674  0.011553  0.542553  1
  Ni  Ni120  1  0.615270  0.921174  0.567226  1
  Ni  Ni121  1  0.873825  0.330724  0.591899  1
  Ni  Ni122  1  0.244344  0.376046  0.579624  1
  Ni  Ni123  1  0.502954  0.285691  0.604334  1
  Ni  Ni124  1  0.873825  0.830724  0.591899  1
  Ni  Ni125  1  0.244344  0.876046  0.579624  1
  Ni  Ni126  1  0.502954  0.785691  0.604334  1
  Ni  Ni127  1  0.761460  0.195354  0.629175  1
  Ni  Ni128  1  0.132397  0.240325  0.616503  1
  Ni  Ni129  1  0.391370  0.150091  0.641216  1
  Ni  Ni130  1  0.761460  0.695354  0.629175  1
  Ni  Ni131  1  0.132397  0.740325  0.616503  1
  Ni  Ni132  1  0.391370  0.650091  0.641216  1
  Ni  Ni133  1  0.649812  0.059759  0.665815  1
  Ni  Ni134  1  0.019574  0.104731  0.653877  1
  Ni  Ni135  1  0.278045  0.013900  0.678427  1
  Ni  Ni136  1  0.649812  0.559759  0.665815  1
  Ni  Ni137  1  0.019574  0.604731  0.653877  1
  Ni  Ni138  1  0.278045  0.513900  0.678427  1
  Ni  Ni139  1  0.535549  0.921031  0.703436  1
  Ni  Ni140  1  0.909585  0.968126  0.690647  1
  Ni  Ni141  1  0.169540  0.877787  0.714519  1
  Ni  Ni142  1  0.535549  0.421031  0.703436  1
  Ni  Ni143  1  0.909585  0.468126  0.690647  1
  Ni  Ni144  1  0.169540  0.377787  0.714519  1
