# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72846276
_cell_length_b   7.72797374
_cell_length_c   48.07913602
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe32 Ni96'
_cell_volume   2813.52661472
_cell_formula_units_Z   32
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  0.573845  0.574072  0.326749  1
  Fe  Fe2  1  0.241213  0.241469  0.268581  1
  Fe  Fe3  1  0.159671  0.658588  0.297713  1
  Fe  Fe4  1  0.658359  0.159903  0.297713  1
  Fe  Fe5  1  0.407319  0.407531  0.385650  1
  Fe  Fe6  1  0.073175  0.073401  0.326400  1
  Fe  Fe7  1  0.990815  0.491754  0.356310  1
  Fe  Fe8  1  0.491535  0.991033  0.356310  1
  Fe  Fe9  1  0.240410  0.240607  0.444468  1
  Fe  Fe10  1  0.907323  0.907534  0.385589  1
  Fe  Fe11  1  0.823982  0.324055  0.415031  1
  Fe  Fe12  1  0.323851  0.824185  0.415031  1
  Fe  Fe13  1  0.073456  0.073638  0.503308  1
  Fe  Fe14  1  0.740421  0.740618  0.444505  1
  Fe  Fe15  1  0.656947  0.157124  0.473894  1
  Fe  Fe16  1  0.156935  0.657136  0.473894  1
  Fe  Fe17  1  0.906481  0.906647  0.562134  1
  Fe  Fe18  1  0.573453  0.573634  0.503306  1
  Fe  Fe19  1  0.489987  0.990129  0.532743  1
  Fe  Fe20  1  0.989955  0.490161  0.532743  1
  Fe  Fe21  1  0.739606  0.739759  0.621075  1
  Fe  Fe22  1  0.406496  0.406664  0.562176  1
  Fe  Fe23  1  0.323045  0.823089  0.591557  1
  Fe  Fe24  1  0.822930  0.323205  0.591557  1
  Fe  Fe25  1  0.572820  0.572957  0.679902  1
  Fe  Fe26  1  0.239563  0.239715  0.620988  1
  Fe  Fe27  1  0.155404  0.656699  0.650389  1
  Fe  Fe28  1  0.656554  0.155549  0.650388  1
  Fe  Fe29  1  0.404898  0.404998  0.737613  1
  Fe  Fe30  1  0.072406  0.072541  0.679573  1
  Fe  Fe31  1  0.989746  0.488629  0.709299  1
  Fe  Fe32  1  0.488500  0.989882  0.709300  1
  Ni  Ni33  1  0.904596  0.904825  0.295874  1
  Ni  Ni34  1  0.407837  0.408066  0.296783  1
  Ni  Ni35  1  0.493922  0.995987  0.268948  1
  Ni  Ni36  1  0.995731  0.494176  0.268948  1
  Ni  Ni37  1  0.865198  0.616474  0.312096  1
  Ni  Ni38  1  0.365473  0.116145  0.312489  1
  Ni  Ni39  1  0.451226  0.700726  0.282457  1
  Ni  Ni40  1  0.948659  0.199853  0.282237  1
  Ni  Ni41  1  0.616245  0.865428  0.312094  1
  Ni  Ni42  1  0.115913  0.365706  0.312489  1
  Ni  Ni43  1  0.199614  0.948898  0.282236  1
  Ni  Ni44  1  0.700488  0.451471  0.282457  1
  Ni  Ni45  1  0.740606  0.740826  0.356314  1
  Ni  Ni46  1  0.240365  0.240583  0.356298  1
  Ni  Ni47  1  0.324852  0.825188  0.326847  1
  Ni  Ni48  1  0.824962  0.325079  0.326848  1
  Ni  Ni49  1  0.699103  0.449343  0.370924  1
  Ni  Ni50  1  0.198964  0.949438  0.370817  1
  Ni  Ni51  1  0.282929  0.532508  0.341530  1
  Ni  Ni52  1  0.783089  0.032274  0.341363  1
  Ni  Ni53  1  0.449127  0.699319  0.370924  1
  Ni  Ni54  1  0.949223  0.199179  0.370817  1
  Ni  Ni55  1  0.032054  0.783309  0.341363  1
  Ni  Ni56  1  0.532286  0.283150  0.341530  1
  Ni  Ni57  1  0.573887  0.574091  0.415057  1
  Ni  Ni58  1  0.073884  0.074088  0.415003  1
  Ni  Ni59  1  0.157414  0.657858  0.385615  1
  Ni  Ni60  1  0.657647  0.157624  0.385614  1
  Ni  Ni61  1  0.532214  0.282322  0.429761  1
  Ni  Ni62  1  0.032139  0.782422  0.429759  1
  Ni  Ni63  1  0.115585  0.365883  0.400355  1
  Ni  Ni64  1  0.615701  0.865831  0.400402  1
  Ni  Ni65  1  0.282122  0.532414  0.429761  1
  Ni  Ni66  1  0.782222  0.032340  0.429759  1
  Ni  Ni67  1  0.865622  0.615909  0.400402  1
  Ni  Ni68  1  0.365676  0.115793  0.400355  1
  Ni  Ni69  1  0.406933  0.407122  0.473890  1
  Ni  Ni70  1  0.906947  0.907136  0.473896  1
  Ni  Ni71  1  0.990424  0.490603  0.444488  1
  Ni  Ni72  1  0.490407  0.990620  0.444487  1
  Ni  Ni73  1  0.365188  0.115394  0.488609  1
  Ni  Ni74  1  0.865210  0.615365  0.488614  1
  Ni  Ni75  1  0.948697  0.198849  0.459170  1
  Ni  Ni76  1  0.448646  0.698890  0.459176  1
  Ni  Ni77  1  0.115208  0.365373  0.488609  1
  Ni  Ni78  1  0.615180  0.865395  0.488614  1
  Ni  Ni79  1  0.698698  0.448839  0.459176  1
  Ni  Ni80  1  0.198656  0.948889  0.459170  1
  Ni  Ni81  1  0.239977  0.240151  0.532745  1
  Ni  Ni82  1  0.739960  0.740134  0.532739  1
  Ni  Ni83  1  0.823455  0.323643  0.503309  1
  Ni  Ni84  1  0.323461  0.823637  0.503309  1
  Ni  Ni85  1  0.198257  0.948376  0.547432  1
  Ni  Ni86  1  0.698198  0.448429  0.547442  1
  Ni  Ni87  1  0.781699  0.031904  0.518020  1
  Ni  Ni88  1  0.281725  0.531875  0.518029  1
  Ni  Ni89  1  0.948206  0.198427  0.547432  1
  Ni  Ni90  1  0.448259  0.698369  0.547442  1
  Ni  Ni91  1  0.531697  0.281903  0.518029  1
  Ni  Ni92  1  0.031726  0.781877  0.518020  1
  Ni  Ni93  1  0.073043  0.073202  0.591521  1
  Ni  Ni94  1  0.573047  0.573206  0.591593  1
  Ni  Ni95  1  0.656480  0.156641  0.562156  1
  Ni  Ni96  1  0.156474  0.656647  0.562156  1
  Ni  Ni97  1  0.031112  0.781523  0.606269  1
  Ni  Ni98  1  0.531316  0.281365  0.606311  1
  Ni  Ni99  1  0.614801  0.864855  0.576885  1
  Ni  Ni100  1  0.114707  0.364976  0.576876  1
  Ni  Ni101  1  0.781367  0.031267  0.606269  1
  Ni  Ni102  1  0.281208  0.531473  0.606311  1
  Ni  Ni103  1  0.364812  0.114870  0.576876  1
  Ni  Ni104  1  0.864692  0.614964  0.576885  1
  Ni  Ni105  1  0.905893  0.906039  0.650555  1
  Ni  Ni106  1  0.406140  0.406286  0.650452  1
  Ni  Ni107  1  0.489577  0.989506  0.621029  1
  Ni  Ni108  1  0.989354  0.489729  0.621029  1
  Ni  Ni109  1  0.864152  0.614777  0.665277  1
  Ni  Ni110  1  0.364153  0.114552  0.665112  1
  Ni  Ni111  1  0.447862  0.697821  0.635713  1
  Ni  Ni112  1  0.947791  0.197867  0.635597  1
  Ni  Ni113  1  0.614635  0.864295  0.665278  1
  Ni  Ni114  1  0.114412  0.364295  0.665112  1
  Ni  Ni115  1  0.197719  0.947938  0.635597  1
  Ni  Ni116  1  0.697672  0.448011  0.635713  1
  Ni  Ni117  1  0.738646  0.738778  0.709932  1
  Ni  Ni118  1  0.237723  0.237856  0.709391  1
  Ni  Ni119  1  0.323135  0.823333  0.679585  1
  Ni  Ni120  1  0.823197  0.323269  0.679585  1
  Ni  Ni121  1  0.697444  0.445052  0.723930  1
  Ni  Ni122  1  0.196407  0.946713  0.723525  1
  Ni  Ni123  1  0.280010  0.532590  0.694374  1
  Ni  Ni124  1  0.781075  0.031521  0.695120  1
  Ni  Ni125  1  0.444935  0.697566  0.723931  1
  Ni  Ni126  1  0.946592  0.196523  0.723525  1
  Ni  Ni127  1  0.031384  0.781212  0.695120  1
  Ni  Ni128  1  0.532455  0.280144  0.694372  1
