# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.59850342
_cell_length_b   10.20459389
_cell_length_c   46.24729797
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.40004552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe90 Ni90'
_cell_volume   4269.29137392
_cell_formula_units_Z   90
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  0.252058  0.502004  0.314735  1
  Fe  Fe2  1  0.918725  0.502004  0.314735  1
  Fe  Fe3  1  0.867449  0.065967  0.299235  1
  Fe  Fe4  1  0.585391  0.502004  0.314735  1
  Fe  Fe5  1  0.534116  0.065967  0.299235  1
  Fe  Fe6  1  0.481207  0.627135  0.283667  1
  Fe  Fe7  1  0.200782  0.065967  0.299235  1
  Fe  Fe8  1  0.147874  0.627135  0.283667  1
  Fe  Fe9  1  0.814541  0.627135  0.283667  1
  Fe  Fe10  1  0.408641  0.815096  0.360067  1
  Fe  Fe11  1  0.075307  0.815096  0.360067  1
  Fe  Fe12  1  0.023004  0.377159  0.344808  1
  Fe  Fe13  1  0.741974  0.815096  0.360067  1
  Fe  Fe14  1  0.689671  0.377159  0.344808  1
  Fe  Fe15  1  0.637182  0.938845  0.330112  1
  Fe  Fe16  1  0.356338  0.377159  0.344808  1
  Fe  Fe17  1  0.303849  0.938845  0.330112  1
  Fe  Fe18  1  0.970515  0.938845  0.330112  1
  Fe  Fe19  1  0.565807  0.129392  0.405450  1
  Fe  Fe20  1  0.232474  0.129392  0.405450  1
  Fe  Fe21  1  0.180067  0.691261  0.390263  1
  Fe  Fe22  1  0.899141  0.129392  0.405450  1
  Fe  Fe23  1  0.846733  0.691261  0.390263  1
  Fe  Fe24  1  0.794327  0.253112  0.375057  1
  Fe  Fe25  1  0.513400  0.691261  0.390263  1
  Fe  Fe26  1  0.460993  0.253112  0.375057  1
  Fe  Fe27  1  0.127660  0.253112  0.375057  1
  Fe  Fe28  1  0.722803  0.443363  0.450958  1
  Fe  Fe29  1  0.389470  0.443363  0.450958  1
  Fe  Fe30  1  0.337168  0.005437  0.435890  1
  Fe  Fe31  1  0.056136  0.443363  0.450958  1
  Fe  Fe32  1  0.003835  0.005437  0.435890  1
  Fe  Fe33  1  0.951452  0.567345  0.420609  1
  Fe  Fe34  1  0.670501  0.005437  0.435890  1
  Fe  Fe35  1  0.618119  0.567345  0.420609  1
  Fe  Fe36  1  0.284785  0.567345  0.420609  1
  Fe  Fe37  1  0.879890  0.757516  0.496564  1
  Fe  Fe38  1  0.546557  0.757516  0.496564  1
  Fe  Fe39  1  0.494160  0.319395  0.481295  1
  Fe  Fe40  1  0.213223  0.757516  0.496564  1
  Fe  Fe41  1  0.160827  0.319395  0.481295  1
  Fe  Fe42  1  0.108516  0.881450  0.466238  1
  Fe  Fe43  1  0.827493  0.319395  0.481295  1
  Fe  Fe44  1  0.775182  0.881450  0.466238  1
  Fe  Fe45  1  0.441849  0.881450  0.466238  1
  Fe  Fe46  1  0.036911  0.071536  0.542065  1
  Fe  Fe47  1  0.703578  0.071536  0.542065  1
  Fe  Fe48  1  0.651255  0.633562  0.526867  1
  Fe  Fe49  1  0.370244  0.071536  0.542065  1
  Fe  Fe50  1  0.317922  0.633562  0.526867  1
  Fe  Fe51  1  0.265536  0.195465  0.511661  1
  Fe  Fe52  1  0.984589  0.633562  0.526867  1
  Fe  Fe53  1  0.932203  0.195465  0.511661  1
  Fe  Fe54  1  0.598869  0.195465  0.511661  1
  Fe  Fe55  1  0.193913  0.385512  0.587445  1
  Fe  Fe56  1  0.860580  0.385512  0.587445  1
  Fe  Fe57  1  0.808311  0.947655  0.572517  1
  Fe  Fe58  1  0.527246  0.385512  0.587445  1
  Fe  Fe59  1  0.474978  0.947655  0.572517  1
  Fe  Fe60  1  0.422588  0.509544  0.557146  1
  Fe  Fe61  1  0.141644  0.947655  0.572517  1
  Fe  Fe62  1  0.089255  0.509544  0.557146  1
  Fe  Fe63  1  0.755922  0.509544  0.557146  1
  Fe  Fe64  1  0.351102  0.699855  0.633131  1
  Fe  Fe65  1  0.017768  0.699855  0.633131  1
  Fe  Fe66  1  0.965280  0.261570  0.617760  1
  Fe  Fe67  1  0.684435  0.699855  0.633131  1
  Fe  Fe68  1  0.631947  0.261570  0.617760  1
  Fe  Fe69  1  0.579756  0.823858  0.602921  1
  Fe  Fe70  1  0.298614  0.261570  0.617760  1
  Fe  Fe71  1  0.246423  0.823858  0.602921  1
  Fe  Fe72  1  0.913090  0.823858  0.602921  1
  Fe  Fe73  1  0.508274  0.014204  0.678668  1
  Fe  Fe74  1  0.174941  0.014204  0.678668  1
  Fe  Fe75  1  0.122222  0.575396  0.663206  1
  Fe  Fe76  1  0.841607  0.014204  0.678668  1
  Fe  Fe77  1  0.788889  0.575396  0.663206  1
  Fe  Fe78  1  0.736641  0.137621  0.648143  1
  Fe  Fe79  1  0.455555  0.575396  0.663206  1
  Fe  Fe80  1  0.403308  0.137621  0.648143  1
  Fe  Fe81  1  0.069975  0.137621  0.648143  1
  Fe  Fe82  1  0.662626  0.322781  0.724141  1
  Fe  Fe83  1  0.329292  0.322781  0.724141  1
  Fe  Fe84  1  0.278281  0.887312  0.709595  1
  Fe  Fe85  1  0.995959  0.322781  0.724141  1
  Fe  Fe86  1  0.944947  0.887312  0.709595  1
  Fe  Fe87  1  0.892758  0.449788  0.693229  1
  Fe  Fe88  1  0.611614  0.887312  0.709595  1
  Fe  Fe89  1  0.559425  0.449788  0.693229  1
  Fe  Fe90  1  0.226091  0.449788  0.693229  1
  Ni  Ni91  1  0.393194  0.784258  0.306892  1
  Ni  Ni92  1  0.059861  0.784258  0.306892  1
  Ni  Ni93  1  0.007126  0.345467  0.292388  1
  Ni  Ni94  1  0.726527  0.784258  0.306892  1
  Ni  Ni95  1  0.673793  0.345467  0.292388  1
  Ni  Ni96  1  0.622191  0.908880  0.277782  1
  Ni  Ni97  1  0.340459  0.345467  0.292388  1
  Ni  Ni98  1  0.288858  0.908880  0.277782  1
  Ni  Ni99  1  0.955524  0.908880  0.277782  1
  Ni  Ni100  1  0.549253  0.096297  0.352245  1
  Ni  Ni101  1  0.215920  0.096297  0.352245  1
  Ni  Ni102  1  0.163757  0.658682  0.337027  1
  Ni  Ni103  1  0.882586  0.096297  0.352245  1
  Ni  Ni104  1  0.830424  0.658682  0.337027  1
  Ni  Ni105  1  0.777948  0.220346  0.321891  1
  Ni  Ni106  1  0.497090  0.658682  0.337027  1
  Ni  Ni107  1  0.444614  0.220346  0.321891  1
  Ni  Ni108  1  0.111281  0.220346  0.321891  1
  Ni  Ni109  1  0.706243  0.410273  0.397862  1
  Ni  Ni110  1  0.372910  0.410273  0.397862  1
  Ni  Ni111  1  0.320680  0.972484  0.382861  1
  Ni  Ni112  1  0.039577  0.410273  0.397862  1
  Ni  Ni113  1  0.987347  0.972484  0.382861  1
  Ni  Ni114  1  0.934860  0.534193  0.367459  1
  Ni  Ni115  1  0.654014  0.972484  0.382861  1
  Ni  Ni116  1  0.601526  0.534193  0.367459  1
  Ni  Ni117  1  0.268193  0.534193  0.367459  1
  Ni  Ni118  1  0.863308  0.724380  0.443426  1
  Ni  Ni119  1  0.529975  0.724380  0.443426  1
  Ni  Ni120  1  0.477610  0.286322  0.428196  1
  Ni  Ni121  1  0.196641  0.724380  0.443426  1
  Ni  Ni122  1  0.144276  0.286322  0.428196  1
  Ni  Ni123  1  0.091956  0.848358  0.413144  1
  Ni  Ni124  1  0.810943  0.286322  0.428196  1
  Ni  Ni125  1  0.758622  0.848358  0.413144  1
  Ni  Ni126  1  0.425289  0.848358  0.413144  1
  Ni  Ni127  1  0.020369  0.038478  0.488970  1
  Ni  Ni128  1  0.687036  0.038478  0.488970  1
  Ni  Ni129  1  0.634676  0.600431  0.473741  1
  Ni  Ni130  1  0.353702  0.038478  0.488970  1
  Ni  Ni131  1  0.301342  0.600431  0.473741  1
  Ni  Ni132  1  0.248987  0.162395  0.458568  1
  Ni  Ni133  1  0.968009  0.600431  0.473741  1
  Ni  Ni134  1  0.915654  0.162395  0.458568  1
  Ni  Ni135  1  0.582321  0.162395  0.458568  1
  Ni  Ni136  1  0.177375  0.352464  0.534382  1
  Ni  Ni137  1  0.844042  0.352464  0.534382  1
  Ni  Ni138  1  0.791757  0.914572  0.519359  1
  Ni  Ni139  1  0.510708  0.352464  0.534382  1
  Ni  Ni140  1  0.458424  0.914572  0.519359  1
  Ni  Ni141  1  0.406031  0.476458  0.504058  1
  Ni  Ni142  1  0.125090  0.914572  0.519359  1
  Ni  Ni143  1  0.072698  0.476458  0.504058  1
  Ni  Ni144  1  0.739364  0.476458  0.504058  1
  Ni  Ni145  1  0.334525  0.666738  0.579987  1
  Ni  Ni146  1  0.001192  0.666738  0.579987  1
  Ni  Ni147  1  0.948719  0.228471  0.564734  1
  Ni  Ni148  1  0.667858  0.666738  0.579987  1
  Ni  Ni149  1  0.615385  0.228471  0.564734  1
  Ni  Ni150  1  0.563155  0.790685  0.549711  1
  Ni  Ni151  1  0.282052  0.228471  0.564734  1
  Ni  Ni152  1  0.229822  0.790685  0.549711  1
  Ni  Ni153  1  0.896489  0.790685  0.549711  1
  Ni  Ni154  1  0.491530  0.980732  0.625738  1
  Ni  Ni155  1  0.158197  0.980732  0.625738  1
  Ni  Ni156  1  0.105826  0.542658  0.610207  1
  Ni  Ni157  1  0.824863  0.980732  0.625738  1
  Ni  Ni158  1  0.772493  0.542658  0.610207  1
  Ni  Ni159  1  0.720078  0.104511  0.595153  1
  Ni  Ni160  1  0.439160  0.542658  0.610207  1
  Ni  Ni161  1  0.386745  0.104511  0.595153  1
  Ni  Ni162  1  0.053411  0.104511  0.595153  1
  Ni  Ni163  1  0.648440  0.294567  0.670744  1
  Ni  Ni164  1  0.315107  0.294567  0.670744  1
  Ni  Ni165  1  0.262785  0.856545  0.656216  1
  Ni  Ni166  1  0.981773  0.294567  0.670744  1
  Ni  Ni167  1  0.929451  0.856545  0.656216  1
  Ni  Ni168  1  0.877138  0.418607  0.640506  1
  Ni  Ni169  1  0.596118  0.856545  0.656216  1
  Ni  Ni170  1  0.543805  0.418607  0.640506  1
  Ni  Ni171  1  0.210471  0.418607  0.640506  1
  Ni  Ni172  1  0.803517  0.604589  0.715652  1
  Ni  Ni173  1  0.470184  0.604589  0.715652  1
  Ni  Ni174  1  0.419327  0.169738  0.700758  1
  Ni  Ni175  1  0.136850  0.604589  0.715652  1
  Ni  Ni176  1  0.085994  0.169738  0.700758  1
  Ni  Ni177  1  0.033462  0.731158  0.686297  1
  Ni  Ni178  1  0.752661  0.169738  0.700758  1
  Ni  Ni179  1  0.700129  0.731158  0.686297  1
  Ni  Ni180  1  0.366795  0.731158  0.686297  1
