# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46836006
_cell_length_b   10.02398500
_cell_length_c   47.67749485
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.54392634
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe90 Ni90'
_cell_volume   4263.77288301
_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  0.463911  0.926044  0.314906  1
  Fe  Fe2  1  0.130578  0.926044  0.314906  1
  Fe  Fe3  1  0.078824  0.489287  0.299436  1
  Fe  Fe4  1  0.797245  0.926044  0.314906  1
  Fe  Fe5  1  0.745490  0.489287  0.299436  1
  Fe  Fe6  1  0.694010  0.052996  0.285654  1
  Fe  Fe7  1  0.412157  0.489287  0.299436  1
  Fe  Fe8  1  0.360677  0.052996  0.285654  1
  Fe  Fe9  1  0.027344  0.052996  0.285654  1
  Fe  Fe10  1  0.619235  0.236518  0.358291  1
  Fe  Fe11  1  0.285902  0.236518  0.358291  1
  Fe  Fe12  1  0.234022  0.799510  0.343983  1
  Fe  Fe13  1  0.952568  0.236518  0.358291  1
  Fe  Fe14  1  0.900689  0.799510  0.343983  1
  Fe  Fe15  1  0.848876  0.362544  0.328939  1
  Fe  Fe16  1  0.567356  0.799510  0.343983  1
  Fe  Fe17  1  0.515542  0.362544  0.328939  1
  Fe  Fe18  1  0.182209  0.362544  0.328939  1
  Fe  Fe19  1  0.775217  0.548351  0.401591  1
  Fe  Fe20  1  0.441884  0.548351  0.401591  1
  Fe  Fe21  1  0.389951  0.111202  0.387324  1
  Fe  Fe22  1  0.108551  0.548351  0.401591  1
  Fe  Fe23  1  0.056617  0.111202  0.387324  1
  Fe  Fe24  1  0.004574  0.673833  0.372703  1
  Fe  Fe25  1  0.723284  0.111202  0.387324  1
  Fe  Fe26  1  0.671241  0.673833  0.372703  1
  Fe  Fe27  1  0.337908  0.673833  0.372703  1
  Fe  Fe28  1  0.931289  0.860364  0.445245  1
  Fe  Fe29  1  0.597955  0.860364  0.445245  1
  Fe  Fe30  1  0.545923  0.423003  0.430593  1
  Fe  Fe31  1  0.264622  0.860364  0.445245  1
  Fe  Fe32  1  0.212590  0.423003  0.430593  1
  Fe  Fe33  1  0.160647  0.985839  0.416284  1
  Fe  Fe34  1  0.879257  0.423003  0.430593  1
  Fe  Fe35  1  0.827314  0.985839  0.416284  1
  Fe  Fe36  1  0.493981  0.985839  0.416284  1
  Fe  Fe37  1  0.087281  0.172207  0.488683  1
  Fe  Fe38  1  0.753947  0.172207  0.488683  1
  Fe  Fe39  1  0.701932  0.734890  0.474169  1
  Fe  Fe40  1  0.420614  0.172207  0.488683  1
  Fe  Fe41  1  0.368599  0.734890  0.474169  1
  Fe  Fe42  1  0.316613  0.297627  0.459653  1
  Fe  Fe43  1  0.035265  0.734890  0.474169  1
  Fe  Fe44  1  0.983279  0.297627  0.459653  1
  Fe  Fe45  1  0.649946  0.297627  0.459653  1
  Fe  Fe46  1  0.243259  0.484022  0.532069  1
  Fe  Fe47  1  0.909926  0.484022  0.532069  1
  Fe  Fe48  1  0.857953  0.046795  0.517681  1
  Fe  Fe49  1  0.576592  0.484022  0.532069  1
  Fe  Fe50  1  0.524620  0.046795  0.517681  1
  Fe  Fe51  1  0.472594  0.609452  0.503111  1
  Fe  Fe52  1  0.191287  0.046795  0.517681  1
  Fe  Fe53  1  0.139261  0.609452  0.503111  1
  Fe  Fe54  1  0.805927  0.609452  0.503111  1
  Fe  Fe55  1  0.399267  0.795905  0.575641  1
  Fe  Fe56  1  0.065934  0.795905  0.575641  1
  Fe  Fe57  1  0.013912  0.358571  0.561048  1
  Fe  Fe58  1  0.732600  0.795905  0.575641  1
  Fe  Fe59  1  0.680579  0.358571  0.561048  1
  Fe  Fe60  1  0.628610  0.921350  0.546652  1
  Fe  Fe61  1  0.347246  0.358571  0.561048  1
  Fe  Fe62  1  0.295277  0.921350  0.546652  1
  Fe  Fe63  1  0.961944  0.921350  0.546652  1
  Fe  Fe64  1  0.555317  0.107872  0.619143  1
  Fe  Fe65  1  0.221984  0.107872  0.619143  1
  Fe  Fe66  1  0.169968  0.670545  0.604600  1
  Fe  Fe67  1  0.888651  0.107872  0.619143  1
  Fe  Fe68  1  0.836635  0.670545  0.604600  1
  Fe  Fe69  1  0.784579  0.233150  0.590105  1
  Fe  Fe70  1  0.503302  0.670545  0.604600  1
  Fe  Fe71  1  0.451246  0.233150  0.590105  1
  Fe  Fe72  1  0.117912  0.233150  0.590105  1
  Fe  Fe73  1  0.710951  0.418987  0.662256  1
  Fe  Fe74  1  0.377617  0.418987  0.662256  1
  Fe  Fe75  1  0.325920  0.982313  0.647996  1
  Fe  Fe76  1  0.044284  0.418987  0.662256  1
  Fe  Fe77  1  0.992587  0.982313  0.647996  1
  Fe  Fe78  1  0.940605  0.545052  0.633458  1
  Fe  Fe79  1  0.659254  0.982313  0.647996  1
  Fe  Fe80  1  0.607272  0.545052  0.633458  1
  Fe  Fe81  1  0.273938  0.545052  0.633458  1
  Fe  Fe82  1  0.866609  0.730106  0.706606  1
  Fe  Fe83  1  0.533276  0.730106  0.706606  1
  Fe  Fe84  1  0.480648  0.291706  0.692048  1
  Fe  Fe85  1  0.199943  0.730106  0.706606  1
  Fe  Fe86  1  0.147314  0.291706  0.692048  1
  Fe  Fe87  1  0.096214  0.856107  0.677169  1
  Fe  Fe88  1  0.813981  0.291706  0.692048  1
  Fe  Fe89  1  0.762880  0.856107  0.677169  1
  Fe  Fe90  1  0.429547  0.856107  0.677169  1
  Ni  Ni91  1  0.322968  0.644155  0.321901  1
  Ni  Ni92  1  0.989635  0.644155  0.321901  1
  Ni  Ni93  1  0.938184  0.207865  0.307368  1
  Ni  Ni94  1  0.656301  0.644155  0.321901  1
  Ni  Ni95  1  0.604850  0.207865  0.307368  1
  Ni  Ni96  1  0.553048  0.771105  0.293298  1
  Ni  Ni97  1  0.271517  0.207865  0.307368  1
  Ni  Ni98  1  0.219714  0.771105  0.293298  1
  Ni  Ni99  1  0.886381  0.771105  0.293298  1
  Ni  Ni100  1  0.478669  0.955381  0.365584  1
  Ni  Ni101  1  0.145336  0.955381  0.365584  1
  Ni  Ni102  1  0.093223  0.517856  0.350805  1
  Ni  Ni103  1  0.812002  0.955381  0.365584  1
  Ni  Ni104  1  0.759890  0.517856  0.350805  1
  Ni  Ni105  1  0.708062  0.080910  0.336678  1
  Ni  Ni106  1  0.426556  0.517856  0.350805  1
  Ni  Ni107  1  0.374729  0.080910  0.336678  1
  Ni  Ni108  1  0.041395  0.080910  0.336678  1
  Ni  Ni109  1  0.634636  0.267166  0.408951  1
  Ni  Ni110  1  0.301302  0.267166  0.408951  1
  Ni  Ni111  1  0.249266  0.829814  0.394571  1
  Ni  Ni112  1  0.967969  0.267166  0.408951  1
  Ni  Ni113  1  0.915932  0.829814  0.394571  1
  Ni  Ni114  1  0.863936  0.392520  0.379804  1
  Ni  Ni115  1  0.582599  0.829814  0.394571  1
  Ni  Ni116  1  0.530603  0.392520  0.379804  1
  Ni  Ni117  1  0.197270  0.392520  0.379804  1
  Ni  Ni118  1  0.790585  0.578928  0.452365  1
  Ni  Ni119  1  0.457251  0.578928  0.452365  1
  Ni  Ni120  1  0.405296  0.141732  0.437990  1
  Ni  Ni121  1  0.123918  0.578928  0.452365  1
  Ni  Ni122  1  0.071963  0.141732  0.437990  1
  Ni  Ni123  1  0.019910  0.704340  0.423439  1
  Ni  Ni124  1  0.738629  0.141732  0.437990  1
  Ni  Ni125  1  0.686576  0.704340  0.423439  1
  Ni  Ni126  1  0.353243  0.704340  0.423439  1
  Ni  Ni127  1  0.946609  0.890841  0.495942  1
  Ni  Ni128  1  0.613275  0.890841  0.495942  1
  Ni  Ni129  1  0.561269  0.453537  0.481347  1
  Ni  Ni130  1  0.279942  0.890841  0.495942  1
  Ni  Ni131  1  0.227936  0.453537  0.481347  1
  Ni  Ni132  1  0.175957  0.016297  0.466976  1
  Ni  Ni133  1  0.894603  0.453537  0.481347  1
  Ni  Ni134  1  0.842624  0.016297  0.466976  1
  Ni  Ni135  1  0.509291  0.016297  0.466976  1
  Ni  Ni136  1  0.102595  0.202675  0.539385  1
  Ni  Ni137  1  0.769262  0.202675  0.539385  1
  Ni  Ni138  1  0.717266  0.765396  0.524899  1
  Ni  Ni139  1  0.435929  0.202675  0.539385  1
  Ni  Ni140  1  0.383933  0.765396  0.524899  1
  Ni  Ni141  1  0.331937  0.328116  0.510359  1
  Ni  Ni142  1  0.050599  0.765396  0.524899  1
  Ni  Ni143  1  0.998604  0.328116  0.510359  1
  Ni  Ni144  1  0.665271  0.328116  0.510359  1
  Ni  Ni145  1  0.258604  0.514550  0.582779  1
  Ni  Ni146  1  0.925271  0.514550  0.582779  1
  Ni  Ni147  1  0.873274  0.077275  0.568396  1
  Ni  Ni148  1  0.591937  0.514550  0.582779  1
  Ni  Ni149  1  0.539940  0.077275  0.568396  1
  Ni  Ni150  1  0.487937  0.639977  0.553852  1
  Ni  Ni151  1  0.206607  0.077275  0.568396  1
  Ni  Ni152  1  0.154603  0.639977  0.553852  1
  Ni  Ni153  1  0.821270  0.639977  0.553852  1
  Ni  Ni154  1  0.414587  0.826383  0.626403  1
  Ni  Ni155  1  0.081254  0.826383  0.626403  1
  Ni  Ni156  1  0.029249  0.389083  0.611709  1
  Ni  Ni157  1  0.747921  0.826383  0.626403  1
  Ni  Ni158  1  0.695915  0.389083  0.611709  1
  Ni  Ni159  1  0.643952  0.951874  0.597354  1
  Ni  Ni160  1  0.362582  0.389083  0.611709  1
  Ni  Ni161  1  0.310619  0.951874  0.597354  1
  Ni  Ni162  1  0.977286  0.951874  0.597354  1
  Ni  Ni163  1  0.570458  0.138011  0.669962  1
  Ni  Ni164  1  0.237125  0.138011  0.669962  1
  Ni  Ni165  1  0.185170  0.700773  0.655370  1
  Ni  Ni166  1  0.903791  0.138011  0.669962  1
  Ni  Ni167  1  0.851837  0.700773  0.655370  1
  Ni  Ni168  1  0.799889  0.263617  0.640846  1
  Ni  Ni169  1  0.518503  0.700773  0.655370  1
  Ni  Ni170  1  0.466556  0.263617  0.640846  1
  Ni  Ni171  1  0.133222  0.263617  0.640846  1
  Ni  Ni172  1  0.726259  0.449445  0.712439  1
  Ni  Ni173  1  0.392926  0.449445  0.712439  1
  Ni  Ni174  1  0.340776  0.011799  0.698738  1
  Ni  Ni175  1  0.059592  0.449445  0.712439  1
  Ni  Ni176  1  0.007443  0.011799  0.698738  1
  Ni  Ni177  1  0.955584  0.574826  0.684195  1
  Ni  Ni178  1  0.674109  0.011799  0.698738  1
  Ni  Ni179  1  0.622251  0.574826  0.684195  1
  Ni  Ni180  1  0.288918  0.574826  0.684195  1
