# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92551354
_cell_length_b   7.75218148
_cell_length_c   46.56702977
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe54 Ni18'
_cell_volume   1686.84524172
_cell_formula_units_Z   18
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  0.217838  0.555947  0.317824  1
  Fe  Fe2  1  0.998345  0.110958  0.290565  1
  Fe  Fe3  1  0.399515  0.418063  0.278319  1
  Fe  Fe4  1  0.598071  0.816037  0.298721  1
  Fe  Fe5  1  0.718696  0.556072  0.317827  1
  Fe  Fe6  1  0.493903  0.111205  0.290558  1
  Fe  Fe7  1  0.658658  0.439722  0.367029  1
  Fe  Fe8  1  0.439354  0.992660  0.340895  1
  Fe  Fe9  1  0.826309  0.272249  0.329939  1
  Fe  Fe10  1  0.049918  0.720349  0.355195  1
  Fe  Fe11  1  0.159719  0.439741  0.367040  1
  Fe  Fe12  1  0.932293  0.992418  0.340891  1
  Fe  Fe13  1  0.102264  0.326159  0.416624  1
  Fe  Fe14  1  0.881313  0.884906  0.392098  1
  Fe  Fe15  1  0.268526  0.159249  0.378494  1
  Fe  Fe16  1  0.491648  0.605872  0.404421  1
  Fe  Fe17  1  0.600779  0.326127  0.416617  1
  Fe  Fe18  1  0.381771  0.884983  0.392096  1
  Fe  Fe19  1  0.545669  0.216100  0.467056  1
  Fe  Fe20  1  0.323696  0.771016  0.441828  1
  Fe  Fe21  1  0.713635  0.050237  0.429614  1
  Fe  Fe22  1  0.933933  0.491932  0.454177  1
  Fe  Fe23  1  0.046451  0.216128  0.467060  1
  Fe  Fe24  1  0.823729  0.771008  0.441830  1
  Fe  Fe25  1  0.988341  0.101926  0.516560  1
  Fe  Fe26  1  0.766460  0.657759  0.491647  1
  Fe  Fe27  1  0.155906  0.936425  0.479152  1
  Fe  Fe28  1  0.379162  0.383312  0.504837  1
  Fe  Fe29  1  0.487876  0.101917  0.516555  1
  Fe  Fe30  1  0.266103  0.657717  0.491648  1
  Fe  Fe31  1  0.429407  0.985043  0.566087  1
  Fe  Fe32  1  0.211172  0.550158  0.542753  1
  Fe  Fe33  1  0.598108  0.822570  0.528720  1
  Fe  Fe34  1  0.820066  0.266986  0.553917  1
  Fe  Fe35  1  0.927931  0.984880  0.566089  1
  Fe  Fe36  1  0.713116  0.550306  0.542754  1
  Fe  Fe37  1  0.877144  0.885343  0.620027  1
  Fe  Fe38  1  0.651433  0.430452  0.591829  1
  Fe  Fe39  1  0.045446  0.717826  0.581499  1
  Fe  Fe40  1  0.258688  0.146277  0.602923  1
  Fe  Fe41  1  0.380366  0.885645  0.620024  1
  Fe  Fe42  1  0.150812  0.430399  0.591833  1
  Fe  Fe43  1  0.309116  0.751370  0.668259  1
  Fe  Fe44  1  0.087168  0.298950  0.640930  1
  Fe  Fe45  1  0.482014  0.593488  0.629382  1
  Fe  Fe46  1  0.708233  0.045848  0.659606  1
  Fe  Fe47  1  0.811339  0.751396  0.668275  1
  Fe  Fe48  1  0.581379  0.298719  0.640922  1
  Fe  Fe49  1  0.735463  0.603553  0.717210  1
  Fe  Fe50  1  0.537970  0.210874  0.699273  1
  Fe  Fe51  1  0.914671  0.460591  0.677394  1
  Fe  Fe52  1  0.138707  0.909510  0.708120  1
  Fe  Fe53  1  0.236145  0.603696  0.717187  1
  Fe  Fe54  1  0.042458  0.211028  0.699275  1
  Ni  Ni55  1  0.885615  0.390274  0.281516  1
  Ni  Ni56  1  0.105006  0.829767  0.304424  1
  Ni  Ni57  1  0.327044  0.273945  0.328897  1
  Ni  Ni58  1  0.549285  0.719342  0.354748  1
  Ni  Ni59  1  0.769226  0.160448  0.379251  1
  Ni  Ni60  1  0.991319  0.605199  0.404512  1
  Ni  Ni61  1  0.213389  0.049825  0.429433  1
  Ni  Ni62  1  0.434293  0.492597  0.454228  1
  Ni  Ni63  1  0.656025  0.936662  0.479182  1
  Ni  Ni64  1  0.878439  0.381970  0.504628  1
  Ni  Ni65  1  0.098582  0.823355  0.528909  1
  Ni  Ni66  1  0.320230  0.267299  0.554077  1
  Ni  Ni67  1  0.542930  0.713071  0.580620  1
  Ni  Ni68  1  0.760796  0.150168  0.603067  1
  Ni  Ni69  1  0.981623  0.592706  0.629782  1
  Ni  Ni70  1  0.202905  0.035541  0.659093  1
  Ni  Ni71  1  0.418710  0.468393  0.677536  1
  Ni  Ni72  1  0.635761  0.903474  0.706316  1
