# 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  0.860021  0.718271  0.277970  1
  Fe  Fe2  1  0.526688  0.718271  0.277970  1
  Fe  Fe3  1  0.575530  0.482597  0.298426  1
  Fe  Fe4  1  0.193354  0.718271  0.277970  1
  Fe  Fe5  1  0.242196  0.482597  0.298426  1
  Fe  Fe6  1  0.290426  0.245735  0.318434  1
  Fe  Fe7  1  0.908863  0.482597  0.298426  1
  Fe  Fe8  1  0.957093  0.245735  0.318434  1
  Fe  Fe9  1  0.623759  0.245735  0.318434  1
  Fe  Fe10  1  0.006448  0.011040  0.337671  1
  Fe  Fe11  1  0.673114  0.011040  0.337671  1
  Fe  Fe12  1  0.722337  0.776085  0.357080  1
  Fe  Fe13  1  0.339781  0.011040  0.337671  1
  Fe  Fe14  1  0.389003  0.776085  0.357080  1
  Fe  Fe15  1  0.437959  0.540619  0.376763  1
  Fe  Fe16  1  0.055670  0.776085  0.357080  1
  Fe  Fe17  1  0.104626  0.540619  0.376763  1
  Fe  Fe18  1  0.771292  0.540619  0.376763  1
  Fe  Fe19  1  0.153628  0.305241  0.396511  1
  Fe  Fe20  1  0.820294  0.305241  0.396511  1
  Fe  Fe21  1  0.869269  0.069808  0.416192  1
  Fe  Fe22  1  0.486961  0.305241  0.396511  1
  Fe  Fe23  1  0.535935  0.069808  0.416192  1
  Fe  Fe24  1  0.585041  0.834636  0.435745  1
  Fe  Fe25  1  0.202602  0.069808  0.416192  1
  Fe  Fe26  1  0.251708  0.834636  0.435745  1
  Fe  Fe27  1  0.918375  0.834636  0.435745  1
  Fe  Fe28  1  0.300827  0.599488  0.455315  1
  Fe  Fe29  1  0.967494  0.599488  0.455315  1
  Fe  Fe30  1  0.016545  0.364208  0.474950  1
  Fe  Fe31  1  0.634160  0.599488  0.455315  1
  Fe  Fe32  1  0.683212  0.364208  0.474950  1
  Fe  Fe33  1  0.732236  0.128873  0.494614  1
  Fe  Fe34  1  0.349879  0.364208  0.474950  1
  Fe  Fe35  1  0.398903  0.128873  0.494614  1
  Fe  Fe36  1  0.065569  0.128873  0.494614  1
  Fe  Fe37  1  0.447943  0.893571  0.514255  1
  Fe  Fe38  1  0.114609  0.893571  0.514255  1
  Fe  Fe39  1  0.163689  0.658345  0.533855  1
  Fe  Fe40  1  0.781276  0.893571  0.514255  1
  Fe  Fe41  1  0.830355  0.658345  0.533855  1
  Fe  Fe42  1  0.879445  0.423140  0.553443  1
  Fe  Fe43  1  0.497022  0.658345  0.533855  1
  Fe  Fe44  1  0.546112  0.423140  0.553443  1
  Fe  Fe45  1  0.212778  0.423140  0.553443  1
  Fe  Fe46  1  0.595174  0.187881  0.573060  1
  Fe  Fe47  1  0.261840  0.187881  0.573060  1
  Fe  Fe48  1  0.310833  0.952485  0.592739  1
  Fe  Fe49  1  0.928507  0.187881  0.573060  1
  Fe  Fe50  1  0.977500  0.952485  0.592739  1
  Fe  Fe51  1  0.026550  0.717203  0.612409  1
  Fe  Fe52  1  0.644167  0.952485  0.592739  1
  Fe  Fe53  1  0.693217  0.717203  0.612409  1
  Fe  Fe54  1  0.359883  0.717203  0.612409  1
  Fe  Fe55  1  0.742328  0.482037  0.631972  1
  Fe  Fe56  1  0.408994  0.482037  0.631972  1
  Fe  Fe57  1  0.458059  0.246776  0.651512  1
  Fe  Fe58  1  0.075661  0.482037  0.631972  1
  Fe  Fe59  1  0.124725  0.246776  0.651512  1
  Fe  Fe60  1  0.173982  0.011920  0.671056  1
  Fe  Fe61  1  0.791392  0.246776  0.651512  1
  Fe  Fe62  1  0.840649  0.011920  0.671056  1
  Fe  Fe63  1  0.507315  0.011920  0.671056  1
  Fe  Fe64  1  0.889288  0.775822  0.690885  1
  Fe  Fe65  1  0.555955  0.775822  0.690885  1
  Fe  Fe66  1  0.605450  0.541357  0.710891  1
  Fe  Fe67  1  0.222621  0.775822  0.690885  1
  Fe  Fe68  1  0.272117  0.541357  0.710891  1
  Fe  Fe69  1  0.319997  0.303819  0.730249  1
  Fe  Fe70  1  0.938783  0.541357  0.710891  1
  Fe  Fe71  1  0.986663  0.303819  0.730249  1
  Fe  Fe72  1  0.653330  0.303819  0.730249  1
  Ni  Ni73  1  0.050494  0.099315  0.288445  1
  Ni  Ni74  1  0.717161  0.099315  0.288445  1
  Ni  Ni75  1  0.766621  0.864785  0.307890  1
  Ni  Ni76  1  0.383827  0.099315  0.288445  1
  Ni  Ni77  1  0.433288  0.864785  0.307890  1
  Ni  Ni78  1  0.334022  0.332992  0.269869  1
  Ni  Ni79  1  0.099954  0.864785  0.307890  1
  Ni  Ni80  1  1.000689  0.332992  0.269869  1
  Ni  Ni81  1  0.667355  0.332992  0.269869  1
  Ni  Ni82  1  0.197802  0.393719  0.347452  1
  Ni  Ni83  1  0.864469  0.393719  0.347452  1
  Ni  Ni84  1  0.913198  0.157793  0.367221  1
  Ni  Ni85  1  0.531135  0.393719  0.347452  1
  Ni  Ni86  1  0.579865  0.157793  0.367221  1
  Ni  Ni87  1  0.482039  0.628887  0.327642  1
  Ni  Ni88  1  0.246531  0.157793  0.367221  1
  Ni  Ni89  1  0.148706  0.628887  0.327642  1
  Ni  Ni90  1  0.815373  0.628887  0.327642  1
  Ni  Ni91  1  0.344864  0.687688  0.406224  1
  Ni  Ni92  1  0.011530  0.687688  0.406224  1
  Ni  Ni93  1  0.060602  0.452446  0.425877  1
  Ni  Ni94  1  0.678197  0.687688  0.406224  1
  Ni  Ni95  1  0.727268  0.452446  0.425877  1
  Ni  Ni96  1  0.628991  0.922661  0.386694  1
  Ni  Ni97  1  0.393935  0.452446  0.425877  1
  Ni  Ni98  1  0.295658  0.922661  0.386694  1
  Ni  Ni99  1  0.962325  0.922661  0.386694  1
  Ni  Ni100  1  0.491948  0.981706  0.465206  1
  Ni  Ni101  1  0.158614  0.981706  0.465206  1
  Ni  Ni102  1  0.207697  0.746487  0.484796  1
  Ni  Ni103  1  0.825281  0.981706  0.465206  1
  Ni  Ni104  1  0.874363  0.746487  0.484796  1
  Ni  Ni105  1  0.776273  0.217072  0.445561  1
  Ni  Ni106  1  0.541030  0.746487  0.484796  1
  Ni  Ni107  1  0.442940  0.217072  0.445561  1
  Ni  Ni108  1  0.109606  0.217072  0.445561  1
  Ni  Ni109  1  0.639187  0.276033  0.524015  1
  Ni  Ni110  1  0.305854  0.276033  0.524015  1
  Ni  Ni111  1  0.354871  0.040685  0.543670  1
  Ni  Ni112  1  0.972520  0.276033  0.524015  1
  Ni  Ni113  1  0.021538  0.040685  0.543670  1
  Ni  Ni114  1  0.923463  0.511302  0.504389  1
  Ni  Ni115  1  0.688204  0.040685  0.543670  1
  Ni  Ni116  1  0.590130  0.511302  0.504389  1
  Ni  Ni117  1  0.256796  0.511302  0.504389  1
  Ni  Ni118  1  0.786351  0.570210  0.582915  1
  Ni  Ni119  1  0.453017  0.570210  0.582915  1
  Ni  Ni120  1  0.502118  0.335026  0.602491  1
  Ni  Ni121  1  0.119684  0.570210  0.582915  1
  Ni  Ni122  1  0.168784  0.335026  0.602491  1
  Ni  Ni123  1  0.070582  0.805391  0.563317  1
  Ni  Ni124  1  0.835451  0.335026  0.602491  1
  Ni  Ni125  1  0.737249  0.805391  0.563317  1
  Ni  Ni126  1  0.403916  0.805391  0.563317  1
  Ni  Ni127  1  0.933394  0.864150  0.641819  1
  Ni  Ni128  1  0.600060  0.864150  0.641819  1
  Ni  Ni129  1  0.649103  0.628849  0.661528  1
  Ni  Ni130  1  0.266727  0.864150  0.641819  1
  Ni  Ni131  1  0.315770  0.628849  0.661528  1
  Ni  Ni132  1  0.217837  0.099748  0.622087  1
  Ni  Ni133  1  0.982437  0.628849  0.661528  1
  Ni  Ni134  1  0.884503  0.099748  0.622087  1
  Ni  Ni135  1  0.551170  0.099748  0.622087  1
  Ni  Ni136  1  0.080579  0.158384  0.700570  1
  Ni  Ni137  1  0.747246  0.158384  0.700570  1
  Ni  Ni138  1  0.796301  0.923137  0.720098  1
  Ni  Ni139  1  0.413913  0.158384  0.700570  1
  Ni  Ni140  1  0.462967  0.923137  0.720098  1
  Ni  Ni141  1  0.365056  0.394015  0.681003  1
  Ni  Ni142  1  0.129634  0.923137  0.720098  1
  Ni  Ni143  1  0.031722  0.394015  0.681003  1
  Ni  Ni144  1  0.698389  0.394015  0.681003  1
