# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85654825
_cell_length_b   7.85481483
_cell_length_c   45.87190543
_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   'Fe28 Ni84'
_cell_volume   2773.64024395
_cell_formula_units_Z   28
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  0.572848  0.573164  0.348421  1
  Fe  Fe2  1  0.242816  0.243222  0.285792  1
  Fe  Fe3  1  0.159554  0.657428  0.316863  1
  Fe  Fe4  1  0.657104  0.159883  0.316863  1
  Fe  Fe5  1  0.406707  0.406971  0.410608  1
  Fe  Fe6  1  0.072918  0.073232  0.348017  1
  Fe  Fe7  1  0.990041  0.490740  0.379464  1
  Fe  Fe8  1  0.490452  0.990328  0.379463  1
  Fe  Fe9  1  0.239881  0.240098  0.473245  1
  Fe  Fe10  1  0.906685  0.906948  0.410490  1
  Fe  Fe11  1  0.823286  0.323412  0.441939  1
  Fe  Fe12  1  0.323171  0.823527  0.441939  1
  Fe  Fe13  1  0.073054  0.073225  0.535843  1
  Fe  Fe14  1  0.739887  0.740105  0.473281  1
  Fe  Fe15  1  0.656535  0.156651  0.504551  1
  Fe  Fe16  1  0.156456  0.656729  0.504551  1
  Fe  Fe17  1  0.906363  0.906488  0.598581  1
  Fe  Fe18  1  0.573065  0.573237  0.535877  1
  Fe  Fe19  1  0.489740  0.989787  0.567144  1
  Fe  Fe20  1  0.989640  0.489888  0.567144  1
  Fe  Fe21  1  0.738977  0.739048  0.660889  1
  Fe  Fe22  1  0.406298  0.406423  0.598456  1
  Fe  Fe23  1  0.322612  0.823344  0.629761  1
  Fe  Fe24  1  0.823241  0.322714  0.629759  1
  Fe  Fe25  1  0.569439  0.569406  0.722859  1
  Fe  Fe26  1  0.239364  0.239433  0.660498  1
  Fe  Fe27  1  0.156386  0.654313  0.692471  1
  Fe  Fe28  1  0.654257  0.156455  0.692472  1
  Ni  Ni29  1  0.906107  0.906428  0.316362  1
  Ni  Ni30  1  0.407906  0.408231  0.316812  1
  Ni  Ni31  1  0.491400  0.993039  0.287079  1
  Ni  Ni32  1  0.992635  0.491810  0.287080  1
  Ni  Ni33  1  0.864525  0.615780  0.332594  1
  Ni  Ni34  1  0.364725  0.115388  0.332738  1
  Ni  Ni35  1  0.452688  0.701875  0.301803  1
  Ni  Ni36  1  0.950663  0.201277  0.301609  1
  Ni  Ni37  1  0.615459  0.864844  0.332590  1
  Ni  Ni38  1  0.115062  0.365053  0.332738  1
  Ni  Ni39  1  0.200920  0.951018  0.301610  1
  Ni  Ni40  1  0.701524  0.453062  0.301805  1
  Ni  Ni41  1  0.740170  0.740462  0.379387  1
  Ni  Ni42  1  0.239994  0.240282  0.379468  1
  Ni  Ni43  1  0.324316  0.824025  0.348012  1
  Ni  Ni44  1  0.823712  0.324629  0.348012  1
  Ni  Ni45  1  0.698489  0.448518  0.395058  1
  Ni  Ni46  1  0.198302  0.948553  0.394922  1
  Ni  Ni47  1  0.281711  0.532086  0.363581  1
  Ni  Ni48  1  0.781920  0.032029  0.363293  1
  Ni  Ni49  1  0.448241  0.698767  0.395058  1
  Ni  Ni50  1  0.948276  0.198578  0.394922  1
  Ni  Ni51  1  0.031735  0.782217  0.363294  1
  Ni  Ni52  1  0.531788  0.282006  0.363581  1
  Ni  Ni53  1  0.573271  0.573512  0.441984  1
  Ni  Ni54  1  0.073228  0.073469  0.441905  1
  Ni  Ni55  1  0.156422  0.657124  0.410551  1
  Ni  Ni56  1  0.656861  0.156685  0.410551  1
  Ni  Ni57  1  0.531643  0.281746  0.457568  1
  Ni  Ni58  1  0.031526  0.781876  0.457562  1
  Ni  Ni59  1  0.114874  0.365243  0.426325  1
  Ni  Ni60  1  0.615060  0.865158  0.426350  1
  Ni  Ni61  1  0.281517  0.531872  0.457568  1
  Ni  Ni62  1  0.781647  0.031755  0.457562  1
  Ni  Ni63  1  0.864905  0.615314  0.426350  1
  Ni  Ni64  1  0.364991  0.115126  0.426325  1
  Ni  Ni65  1  0.406478  0.406673  0.504545  1
  Ni  Ni66  1  0.906477  0.906672  0.504547  1
  Ni  Ni67  1  0.989847  0.490147  0.473262  1
  Ni  Ni68  1  0.489929  0.990065  0.473262  1
  Ni  Ni69  1  0.364812  0.114951  0.520190  1
  Ni  Ni70  1  0.864765  0.614971  0.520215  1
  Ni  Ni71  1  0.948193  0.198369  0.488888  1
  Ni  Ni72  1  0.448142  0.698396  0.488912  1
  Ni  Ni73  1  0.114768  0.364995  0.520190  1
  Ni  Ni74  1  0.614788  0.864948  0.520215  1
  Ni  Ni75  1  0.698189  0.448348  0.488912  1
  Ni  Ni76  1  0.198163  0.948399  0.488888  1
  Ni  Ni77  1  0.239665  0.239811  0.567087  1
  Ni  Ni78  1  0.739711  0.739860  0.567169  1
  Ni  Ni79  1  0.823133  0.323202  0.535873  1
  Ni  Ni80  1  0.323030  0.823305  0.535873  1
  Ni  Ni81  1  0.197801  0.948236  0.582830  1
  Ni  Ni82  1  0.698033  0.448110  0.582846  1
  Ni  Ni83  1  0.781440  0.031480  0.551532  1
  Ni  Ni84  1  0.281330  0.531610  0.551522  1
  Ni  Ni85  1  0.948100  0.197937  0.582829  1
  Ni  Ni86  1  0.447972  0.698172  0.582846  1
  Ni  Ni87  1  0.531450  0.281490  0.551522  1
  Ni  Ni88  1  0.031320  0.781600  0.551532  1
  Ni  Ni89  1  0.072729  0.072834  0.629993  1
  Ni  Ni90  1  0.572801  0.572909  0.629841  1
  Ni  Ni91  1  0.656552  0.156288  0.598510  1
  Ni  Ni92  1  0.156164  0.656677  0.598510  1
  Ni  Ni93  1  0.031242  0.781245  0.645679  1
  Ni  Ni94  1  0.531338  0.281184  0.645415  1
  Ni  Ni95  1  0.614718  0.864731  0.614111  1
  Ni  Ni96  1  0.114538  0.364766  0.613976  1
  Ni  Ni97  1  0.781154  0.031333  0.645679  1
  Ni  Ni98  1  0.281096  0.531430  0.645415  1
  Ni  Ni99  1  0.364655  0.114647  0.613975  1
  Ni  Ni100  1  0.864619  0.614829  0.614111  1
  Ni  Ni101  1  0.903380  0.903435  0.692008  1
  Ni  Ni102  1  0.403060  0.403114  0.691739  1
  Ni  Ni103  1  0.489703  0.990405  0.660888  1
  Ni  Ni104  1  0.990333  0.489774  0.660887  1
  Ni  Ni105  1  0.861880  0.611672  0.707181  1
  Ni  Ni106  1  0.361132  0.112499  0.706839  1
  Ni  Ni107  1  0.447617  0.698290  0.676442  1
  Ni  Ni108  1  0.948397  0.197449  0.676743  1
  Ni  Ni109  1  0.611663  0.861907  0.707181  1
  Ni  Ni110  1  0.112481  0.361142  0.706837  1
  Ni  Ni111  1  0.197376  0.948474  0.676744  1
  Ni  Ni112  1  0.698220  0.447687  0.676437  1
