# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51026395
_cell_length_b   12.81644726
_cell_length_c   47.36110643
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe63 Ni21'
_cell_volume   2130.73415991
_cell_formula_units_Z   21
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  0.505051  0.426946  0.299332  1
  Fe  Fe2  1  0.505051  0.038181  0.321373  1
  Fe  Fe3  1  0.505051  0.650953  0.342615  1
  Fe  Fe4  1  0.005051  0.345275  0.331849  1
  Fe  Fe5  1  0.005051  0.116927  0.290670  1
  Fe  Fe6  1  0.005051  0.733035  0.310964  1
  Fe  Fe7  1  0.505051  0.620471  0.290866  1
  Fe  Fe8  1  0.505051  0.232608  0.311219  1
  Fe  Fe9  1  0.505051  0.844195  0.331109  1
  Fe  Fe10  1  0.505051  0.268089  0.363145  1
  Fe  Fe11  1  0.505051  0.883711  0.383386  1
  Fe  Fe12  1  0.505051  0.499039  0.404441  1
  Fe  Fe13  1  0.005051  0.191318  0.394249  1
  Fe  Fe14  1  0.005051  0.960172  0.351935  1
  Fe  Fe15  1  0.005051  0.575451  0.373237  1
  Fe  Fe16  1  0.505051  0.460118  0.351921  1
  Fe  Fe17  1  0.505051  0.075717  0.373231  1
  Fe  Fe18  1  0.505051  0.691576  0.394170  1
  Fe  Fe19  1  0.505051  0.114087  0.425358  1
  Fe  Fe20  1  0.505051  0.729543  0.446222  1
  Fe  Fe21  1  0.505051  0.344854  0.467132  1
  Fe  Fe22  1  0.005051  0.037159  0.456582  1
  Fe  Fe23  1  0.005051  0.806608  0.414898  1
  Fe  Fe24  1  0.005051  0.421928  0.435821  1
  Fe  Fe25  1  0.505051  0.306776  0.415049  1
  Fe  Fe26  1  0.505051  0.921811  0.435685  1
  Fe  Fe27  1  0.505051  0.537163  0.456627  1
  Fe  Fe28  1  0.505051  0.960255  0.487901  1
  Fe  Fe29  1  0.505051  0.575553  0.508740  1
  Fe  Fe30  1  0.505051  0.190870  0.529664  1
  Fe  Fe31  1  0.005051  0.883265  0.519200  1
  Fe  Fe32  1  0.005051  0.652552  0.477459  1
  Fe  Fe33  1  0.005051  0.267890  0.498399  1
  Fe  Fe34  1  0.505051  0.152484  0.477524  1
  Fe  Fe35  1  0.505051  0.767954  0.498308  1
  Fe  Fe36  1  0.505051  0.383242  0.519239  1
  Fe  Fe37  1  0.505051  0.806341  0.550430  1
  Fe  Fe38  1  0.505051  0.421485  0.571375  1
  Fe  Fe39  1  0.505051  0.036875  0.592363  1
  Fe  Fe40  1  0.005051  0.729169  0.581565  1
  Fe  Fe41  1  0.005051  0.498528  0.540064  1
  Fe  Fe42  1  0.005051  0.113951  0.560986  1
  Fe  Fe43  1  0.505051  0.998690  0.540098  1
  Fe  Fe44  1  0.505051  0.613739  0.560843  1
  Fe  Fe45  1  0.505051  0.229095  0.581836  1
  Fe  Fe46  1  0.505051  0.652170  0.612858  1
  Fe  Fe47  1  0.505051  0.267540  0.633970  1
  Fe  Fe48  1  0.505051  0.882998  0.654843  1
  Fe  Fe49  1  0.005051  0.575263  0.644478  1
  Fe  Fe50  1  0.005051  0.344415  0.602612  1
  Fe  Fe51  1  0.005051  0.960142  0.623647  1
  Fe  Fe52  1  0.505051  0.844855  0.602514  1
  Fe  Fe53  1  0.505051  0.460214  0.623521  1
  Fe  Fe54  1  0.505051  0.075606  0.644835  1
  Fe  Fe55  1  0.505051  0.498872  0.675819  1
  Fe  Fe56  1  0.505051  0.111386  0.696391  1
  Fe  Fe57  1  0.505051  0.726773  0.716020  1
  Fe  Fe58  1  0.005051  0.418713  0.705885  1
  Fe  Fe59  1  0.005051  0.191318  0.665081  1
  Fe  Fe60  1  0.005051  0.803738  0.685190  1
  Fe  Fe61  1  0.505051  0.690777  0.664663  1
  Fe  Fe62  1  0.505051  0.303728  0.685687  1
  Fe  Fe63  1  0.505051  0.918454  0.706332  1
  Ni  Ni64  1  0.005051  0.538628  0.320811  1
  Ni  Ni65  1  0.005051  0.308266  0.280161  1
  Ni  Ni66  1  0.005051  0.924163  0.300060  1
  Ni  Ni67  1  0.005051  0.383783  0.383702  1
  Ni  Ni68  1  0.005051  0.153298  0.342187  1
  Ni  Ni69  1  0.005051  0.768155  0.362774  1
  Ni  Ni70  1  0.005051  0.229532  0.446287  1
  Ni  Ni71  1  0.005051  0.998712  0.404358  1
  Ni  Ni72  1  0.005051  0.614221  0.425353  1
  Ni  Ni73  1  0.005051  0.075540  0.508792  1
  Ni  Ni74  1  0.005051  0.844950  0.467034  1
  Ni  Ni75  1  0.005051  0.460219  0.487938  1
  Ni  Ni76  1  0.005051  0.921751  0.571365  1
  Ni  Ni77  1  0.005051  0.690875  0.529555  1
  Ni  Ni78  1  0.005051  0.306179  0.550519  1
  Ni  Ni79  1  0.005051  0.767669  0.633516  1
  Ni  Ni80  1  0.005051  0.536829  0.592204  1
  Ni  Ni81  1  0.005051  0.152074  0.613187  1
  Ni  Ni82  1  0.005051  0.611734  0.696566  1
  Ni  Ni83  1  0.005051  0.383176  0.654607  1
  Ni  Ni84  1  0.005051  0.997636  0.675855  1
