# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89790475
_cell_length_b   8.36279802
_cell_length_c   47.48889502
_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   3338.25621359
_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  0.786811  0.440540  0.289228  1
  Fe  Fe2  1  0.156725  0.487181  0.277189  1
  Fe  Fe3  1  0.421436  0.394218  0.301221  1
  Fe  Fe4  1  0.786811  0.940540  0.289228  1
  Fe  Fe5  1  0.156725  0.987181  0.277189  1
  Fe  Fe6  1  0.421436  0.894218  0.301221  1
  Fe  Fe7  1  0.677207  0.302839  0.326650  1
  Fe  Fe8  1  0.047428  0.347268  0.314161  1
  Fe  Fe9  1  0.306576  0.257367  0.339055  1
  Fe  Fe10  1  0.677207  0.802839  0.326650  1
  Fe  Fe11  1  0.047428  0.847268  0.314161  1
  Fe  Fe12  1  0.306576  0.757367  0.339055  1
  Fe  Fe13  1  0.565140  0.166503  0.363771  1
  Fe  Fe14  1  0.936366  0.211552  0.351445  1
  Fe  Fe15  1  0.194682  0.121350  0.376047  1
  Fe  Fe16  1  0.565140  0.666503  0.363771  1
  Fe  Fe17  1  0.936366  0.711552  0.351445  1
  Fe  Fe18  1  0.194682  0.621350  0.376047  1
  Fe  Fe19  1  0.453133  0.030933  0.400675  1
  Fe  Fe20  1  0.823881  0.076175  0.388423  1
  Fe  Fe21  1  0.082418  0.985860  0.413041  1
  Fe  Fe22  1  0.453133  0.530933  0.400675  1
  Fe  Fe23  1  0.823881  0.576175  0.388423  1
  Fe  Fe24  1  0.082418  0.485860  0.413041  1
  Fe  Fe25  1  0.340959  0.895518  0.437744  1
  Fe  Fe26  1  0.711678  0.940619  0.425393  1
  Fe  Fe27  1  0.970286  0.850307  0.450089  1
  Fe  Fe28  1  0.340959  0.395518  0.437744  1
  Fe  Fe29  1  0.711678  0.440619  0.425393  1
  Fe  Fe30  1  0.970286  0.350307  0.450089  1
  Fe  Fe31  1  0.228841  0.759923  0.474768  1
  Fe  Fe32  1  0.599534  0.805122  0.462435  1
  Fe  Fe33  1  0.858125  0.714760  0.487117  1
  Fe  Fe34  1  0.228841  0.259923  0.474768  1
  Fe  Fe35  1  0.599534  0.305122  0.462435  1
  Fe  Fe36  1  0.858125  0.214760  0.487117  1
  Fe  Fe37  1  0.116676  0.624387  0.511798  1
  Fe  Fe38  1  0.487392  0.669557  0.499447  1
  Fe  Fe39  1  0.745972  0.579219  0.524128  1
  Fe  Fe40  1  0.116676  0.124387  0.511798  1
  Fe  Fe41  1  0.487392  0.169557  0.499447  1
  Fe  Fe42  1  0.745972  0.079219  0.524128  1
  Fe  Fe43  1  0.004542  0.488837  0.548821  1
  Fe  Fe44  1  0.375210  0.534023  0.536471  1
  Fe  Fe45  1  0.633812  0.443668  0.561139  1
  Fe  Fe46  1  0.004542  0.988837  0.548821  1
  Fe  Fe47  1  0.375210  0.034023  0.536471  1
  Fe  Fe48  1  0.633812  0.943668  0.561139  1
  Fe  Fe49  1  0.892458  0.353341  0.585859  1
  Fe  Fe50  1  0.263045  0.398409  0.573493  1
  Fe  Fe51  1  0.521653  0.308122  0.598180  1
  Fe  Fe52  1  0.892458  0.853341  0.585859  1
  Fe  Fe53  1  0.263045  0.898409  0.573493  1
  Fe  Fe54  1  0.521653  0.808122  0.598180  1
  Fe  Fe55  1  0.780290  0.217969  0.622840  1
  Fe  Fe56  1  0.150909  0.262869  0.610590  1
  Fe  Fe57  1  0.409268  0.172700  0.635170  1
  Fe  Fe58  1  0.780290  0.717969  0.622840  1
  Fe  Fe59  1  0.150909  0.762869  0.610590  1
  Fe  Fe60  1  0.409268  0.672700  0.635170  1
  Fe  Fe61  1  0.667836  0.081841  0.659673  1
  Fe  Fe62  1  0.038952  0.127200  0.647624  1
  Fe  Fe63  1  0.297183  0.037027  0.672033  1
  Fe  Fe64  1  0.667836  0.581841  0.659673  1
  Fe  Fe65  1  0.038952  0.627200  0.647624  1
  Fe  Fe66  1  0.297183  0.537027  0.672033  1
  Fe  Fe67  1  0.558696  0.944169  0.697302  1
  Fe  Fe68  1  0.926080  0.989754  0.685017  1
  Fe  Fe69  1  0.186892  0.899827  0.709886  1
  Fe  Fe70  1  0.558696  0.444169  0.697302  1
  Fe  Fe71  1  0.926080  0.489754  0.685017  1
  Fe  Fe72  1  0.186892  0.399827  0.709886  1
  Ni  Ni73  1  0.916777  0.644508  0.301881  1
  Ni  Ni74  1  0.288368  0.690292  0.289600  1
  Ni  Ni75  1  0.547933  0.599515  0.314238  1
  Ni  Ni76  1  0.916777  0.144508  0.301881  1
  Ni  Ni77  1  0.288368  0.190292  0.289600  1
  Ni  Ni78  1  0.547933  0.099515  0.314238  1
  Ni  Ni79  1  0.806945  0.506939  0.339119  1
  Ni  Ni80  1  0.178002  0.551711  0.326696  1
  Ni  Ni81  1  0.435813  0.461876  0.351207  1
  Ni  Ni82  1  0.806945  0.006939  0.339119  1
  Ni  Ni83  1  0.178002  0.051711  0.326696  1
  Ni  Ni84  1  0.435813  0.961876  0.351207  1
  Ni  Ni85  1  0.694561  0.371282  0.376014  1
  Ni  Ni86  1  0.065280  0.416522  0.363633  1
  Ni  Ni87  1  0.323816  0.326271  0.388383  1
  Ni  Ni88  1  0.694561  0.871282  0.376014  1
  Ni  Ni89  1  0.065280  0.916522  0.363633  1
  Ni  Ni90  1  0.323816  0.826271  0.388383  1
  Ni  Ni91  1  0.582383  0.235827  0.413085  1
  Ni  Ni92  1  0.953189  0.281043  0.400741  1
  Ni  Ni93  1  0.211743  0.190662  0.425403  1
  Ni  Ni94  1  0.582383  0.735827  0.413085  1
  Ni  Ni95  1  0.953189  0.781043  0.400741  1
  Ni  Ni96  1  0.211743  0.690662  0.425403  1
  Ni  Ni97  1  0.470260  0.100285  0.450073  1
  Ni  Ni98  1  0.840994  0.145470  0.437760  1
  Ni  Ni99  1  0.099547  0.055121  0.462424  1
  Ni  Ni100  1  0.470260  0.600285  0.450073  1
  Ni  Ni101  1  0.840994  0.645470  0.437760  1
  Ni  Ni102  1  0.099547  0.555121  0.462424  1
  Ni  Ni103  1  0.358097  0.964753  0.487109  1
  Ni  Ni104  1  0.728831  0.009929  0.474764  1
  Ni  Ni105  1  0.987409  0.919572  0.499452  1
  Ni  Ni106  1  0.358097  0.464753  0.487109  1
  Ni  Ni107  1  0.728831  0.509929  0.474764  1
  Ni  Ni108  1  0.987409  0.419572  0.499452  1
  Ni  Ni109  1  0.245952  0.829188  0.524133  1
  Ni  Ni110  1  0.616672  0.874392  0.511790  1
  Ni  Ni111  1  0.875271  0.784037  0.536481  1
  Ni  Ni112  1  0.245952  0.329188  0.524133  1
  Ni  Ni113  1  0.616672  0.374392  0.511790  1
  Ni  Ni114  1  0.875271  0.284037  0.536481  1
  Ni  Ni115  1  0.133797  0.693637  0.561179  1
  Ni  Ni116  1  0.504519  0.738841  0.548814  1
  Ni  Ni117  1  0.763130  0.648524  0.573489  1
  Ni  Ni118  1  0.133797  0.193637  0.561179  1
  Ni  Ni119  1  0.504519  0.238841  0.548814  1
  Ni  Ni120  1  0.763130  0.148524  0.573489  1
  Ni  Ni121  1  0.021682  0.558107  0.598205  1
  Ni  Ni122  1  0.392299  0.603289  0.585828  1
  Ni  Ni123  1  0.650924  0.512979  0.610457  1
  Ni  Ni124  1  0.021682  0.058107  0.598205  1
  Ni  Ni125  1  0.392299  0.103289  0.585828  1
  Ni  Ni126  1  0.650924  0.012979  0.610457  1
  Ni  Ni127  1  0.909787  0.422709  0.635268  1
  Ni  Ni128  1  0.280107  0.467640  0.622827  1
  Ni  Ni129  1  0.538739  0.377382  0.647550  1
  Ni  Ni130  1  0.909787  0.922709  0.635268  1
  Ni  Ni131  1  0.280107  0.967640  0.622827  1
  Ni  Ni132  1  0.538739  0.877382  0.647550  1
  Ni  Ni133  1  0.797575  0.286427  0.672217  1
  Ni  Ni134  1  0.167956  0.332149  0.660056  1
  Ni  Ni135  1  0.426818  0.242281  0.684562  1
  Ni  Ni136  1  0.797575  0.786427  0.672217  1
  Ni  Ni137  1  0.167956  0.832149  0.660056  1
  Ni  Ni138  1  0.426818  0.742281  0.684562  1
  Ni  Ni139  1  0.684938  0.150532  0.708697  1
  Ni  Ni140  1  0.054461  0.195637  0.697328  1
  Ni  Ni141  1  0.317893  0.104931  0.720701  1
  Ni  Ni142  1  0.684938  0.650532  0.708697  1
  Ni  Ni143  1  0.054461  0.695637  0.697328  1
  Ni  Ni144  1  0.317893  0.604931  0.720701  1
