# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99305591
_cell_length_b   11.13683446
_cell_length_c   48.72419280
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe27 Ni81'
_cell_volume   2640.7947544
_cell_formula_units_Z   27
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  0.063386  0.710203  0.279612  1
  Fe  Fe2  1  0.220254  0.022260  0.295836  1
  Fe  Fe3  1  0.381116  0.341358  0.312896  1
  Fe  Fe4  1  0.535999  0.654701  0.327624  1
  Fe  Fe5  1  0.693795  0.972535  0.344679  1
  Fe  Fe6  1  0.851259  0.287668  0.361470  1
  Fe  Fe7  1  0.009887  0.603513  0.378485  1
  Fe  Fe8  1  0.167032  0.918442  0.395008  1
  Fe  Fe9  1  0.324986  0.234484  0.411769  1
  Fe  Fe10  1  0.482949  0.550429  0.428259  1
  Fe  Fe11  1  0.640786  0.866060  0.444931  1
  Fe  Fe12  1  0.798574  0.181740  0.461610  1
  Fe  Fe13  1  0.956493  0.497601  0.478336  1
  Fe  Fe14  1  0.114295  0.813234  0.494984  1
  Fe  Fe15  1  0.272061  0.128803  0.511616  1
  Fe  Fe16  1  0.430001  0.444724  0.528289  1
  Fe  Fe17  1  0.587879  0.760547  0.545042  1
  Fe  Fe18  1  0.745528  0.075822  0.561686  1
  Fe  Fe19  1  0.903429  0.391733  0.578180  1
  Fe  Fe20  1  0.061693  0.708278  0.595014  1
  Fe  Fe21  1  0.219183  0.023270  0.611628  1
  Fe  Fe22  1  0.376879  0.338048  0.628023  1
  Fe  Fe23  1  0.534320  0.654489  0.645110  1
  Fe  Fe24  1  0.692877  0.971625  0.662757  1
  Fe  Fe25  1  0.851709  0.287021  0.677585  1
  Fe  Fe26  1  0.009104  0.598296  0.693706  1
  Fe  Fe27  1  0.167664  0.918132  0.710521  1
  Ni  Ni28  1  0.381239  0.840458  0.311736  1
  Ni  Ni29  1  0.112387  0.212071  0.278660  1
  Ni  Ni30  1  0.223230  0.522437  0.294118  1
  Ni  Ni31  1  0.563353  0.709871  0.278115  1
  Ni  Ni32  1  0.721986  0.027483  0.294399  1
  Ni  Ni33  1  0.876793  0.336628  0.311008  1
  Ni  Ni34  1  0.875581  0.841250  0.311615  1
  Ni  Ni35  1  0.036934  0.156051  0.328564  1
  Ni  Ni36  1  0.717269  0.522014  0.294076  1
  Ni  Ni37  1  0.850622  0.787153  0.361367  1
  Ni  Ni38  1  0.537443  0.156449  0.327959  1
  Ni  Ni39  1  0.696367  0.472673  0.345134  1
  Ni  Ni40  1  0.035595  0.654391  0.328660  1
  Ni  Ni41  1  0.193312  0.971481  0.345500  1
  Ni  Ni42  1  0.351277  0.287447  0.362127  1
  Ni  Ni43  1  0.352547  0.787104  0.361398  1
  Ni  Ni44  1  0.509489  0.103279  0.378247  1
  Ni  Ni45  1  0.192426  0.472122  0.344966  1
  Ni  Ni46  1  0.325624  0.734691  0.411616  1
  Ni  Ni47  1  0.008596  0.103159  0.378370  1
  Ni  Ni48  1  0.166926  0.418944  0.394999  1
  Ni  Ni49  1  0.509586  0.603347  0.378087  1
  Ni  Ni50  1  0.667147  0.918770  0.394781  1
  Ni  Ni51  1  0.825027  0.234690  0.411583  1
  Ni  Ni52  1  0.824703  0.734672  0.411605  1
  Ni  Ni53  1  0.982749  0.050169  0.428286  1
  Ni  Ni54  1  0.667553  0.418969  0.395023  1
  Ni  Ni55  1  0.798525  0.681823  0.461644  1
  Ni  Ni56  1  0.483024  0.050191  0.428262  1
  Ni  Ni57  1  0.640847  0.366154  0.444999  1
  Ni  Ni58  1  0.982981  0.550453  0.428376  1
  Ni  Ni59  1  0.140731  0.865950  0.444985  1
  Ni  Ni60  1  0.298548  0.181668  0.461666  1
  Ni  Ni61  1  0.298735  0.681824  0.461646  1
  Ni  Ni62  1  0.456473  0.997424  0.478286  1
  Ni  Ni63  1  0.140732  0.366154  0.444995  1
  Ni  Ni64  1  0.272256  0.629081  0.511670  1
  Ni  Ni65  1  0.956335  0.997423  0.478290  1
  Ni  Ni66  1  0.114256  0.313189  0.494962  1
  Ni  Ni67  1  0.456493  0.497603  0.478298  1
  Ni  Ni68  1  0.614299  0.813247  0.494982  1
  Ni  Ni69  1  0.772052  0.128794  0.511630  1
  Ni  Ni70  1  0.772139  0.629081  0.511672  1
  Ni  Ni71  1  0.929910  0.944628  0.528315  1
  Ni  Ni72  1  0.614282  0.313190  0.494962  1
  Ni  Ni73  1  0.745775  0.576354  0.561665  1
  Ni  Ni74  1  0.429980  0.944625  0.528320  1
  Ni  Ni75  1  0.587755  0.260172  0.544914  1
  Ni  Ni76  1  0.930004  0.444741  0.528282  1
  Ni  Ni77  1  0.087933  0.760632  0.545011  1
  Ni  Ni78  1  0.245567  0.075890  0.561608  1
  Ni  Ni79  1  0.245727  0.576354  0.561657  1
  Ni  Ni80  1  0.403968  0.891978  0.578440  1
  Ni  Ni81  1  0.087661  0.260175  0.544915  1
  Ni  Ni82  1  0.219688  0.523281  0.611466  1
  Ni  Ni83  1  0.903274  0.892002  0.578412  1
  Ni  Ni84  1  0.060872  0.207074  0.594885  1
  Ni  Ni85  1  0.403399  0.391607  0.578181  1
  Ni  Ni86  1  0.561535  0.708089  0.595136  1
  Ni  Ni87  1  0.719005  0.023097  0.612030  1
  Ni  Ni88  1  0.718708  0.523296  0.611504  1
  Ni  Ni89  1  0.876268  0.839842  0.628635  1
  Ni  Ni90  1  0.561437  0.207049  0.594880  1
  Ni  Ni91  1  0.690084  0.469924  0.661275  1
  Ni  Ni92  1  0.377692  0.839719  0.628789  1
  Ni  Ni93  1  0.534366  0.154149  0.645088  1
  Ni  Ni94  1  0.876949  0.338652  0.627967  1
  Ni  Ni95  1  0.034542  0.654618  0.644539  1
  Ni  Ni96  1  0.193375  0.972427  0.661568  1
  Ni  Ni97  1  0.195045  0.469398  0.661087  1
  Ni  Ni98  1  0.351924  0.784480  0.678770  1
  Ni  Ni99  1  0.034964  0.154124  0.645092  1
  Ni  Ni100  1  0.160469  0.414850  0.711651  1
  Ni  Ni101  1  0.850363  0.785032  0.678111  1
  Ni  Ni102  1  0.005941  0.105054  0.696399  1
  Ni  Ni103  1  0.351198  0.286541  0.677969  1
  Ni  Ni104  1  0.509383  0.602572  0.695606  1
  Ni  Ni105  1  0.664781  0.913941  0.712393  1
  Ni  Ni106  1  0.671816  0.414270  0.711671  1
  Ni  Ni107  1  0.870341  0.728405  0.727806  1
  Ni  Ni108  1  0.514379  0.105983  0.696323  1
