# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81040780
_cell_length_b   4.18153273
_cell_length_c   46.26715364
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.22384726
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe33 Ni33'
_cell_volume   1484.41366285
_cell_formula_units_Z   33
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  0.708246  0.302253  0.280442  1
  Fe  Fe2  1  0.023437  0.194492  0.294187  1
  Fe  Fe3  1  0.333704  0.087096  0.308656  1
  Fe  Fe4  1  0.645505  0.973529  0.322905  1
  Fe  Fe5  1  0.956568  0.864064  0.336326  1
  Fe  Fe6  1  0.266482  0.755146  0.350293  1
  Fe  Fe7  1  0.577840  0.646207  0.364273  1
  Fe  Fe8  1  0.888461  0.538688  0.378055  1
  Fe  Fe9  1  0.199153  0.429821  0.391984  1
  Fe  Fe10  1  0.510266  0.320963  0.405914  1
  Fe  Fe11  1  0.821192  0.212624  0.419776  1
  Fe  Fe12  1  0.131943  0.103871  0.433638  1
  Fe  Fe13  1  0.442796  0.995157  0.447532  1
  Fe  Fe14  1  0.753701  0.886634  0.461417  1
  Fe  Fe15  1  0.064544  0.778028  0.475295  1
  Fe  Fe16  1  0.375399  0.669381  0.489187  1
  Fe  Fe17  1  0.686290  0.560811  0.503076  1
  Fe  Fe18  1  0.997155  0.452209  0.516962  1
  Fe  Fe19  1  0.307972  0.343544  0.530840  1
  Fe  Fe20  1  0.618827  0.234934  0.544708  1
  Fe  Fe21  1  0.929740  0.126313  0.558596  1
  Fe  Fe22  1  0.240613  0.017537  0.572489  1
  Fe  Fe23  1  0.551497  0.909055  0.586379  1
  Fe  Fe24  1  0.862444  0.800810  0.600288  1
  Fe  Fe25  1  0.173231  0.691895  0.614224  1
  Fe  Fe26  1  0.483574  0.583452  0.628024  1
  Fe  Fe27  1  0.794824  0.475045  0.641735  1
  Fe  Fe28  1  0.106325  0.364953  0.655738  1
  Fe  Fe29  1  0.416342  0.257587  0.669616  1
  Fe  Fe30  1  0.727628  0.148608  0.683531  1
  Fe  Fe31  1  0.035901  0.036334  0.698424  1
  Fe  Fe32  1  0.350067  0.926830  0.711849  1
  Fe  Fe33  1  0.666222  0.816003  0.725167  1
  Ni  Ni34  1  0.553948  0.854843  0.274962  1
  Ni  Ni35  1  0.866384  0.747519  0.287734  1
  Ni  Ni36  1  0.180699  0.639411  0.301184  1
  Ni  Ni37  1  0.489875  0.527649  0.315728  1
  Ni  Ni38  1  0.800796  0.418430  0.329370  1
  Ni  Ni39  1  0.110743  0.310188  0.343329  1
  Ni  Ni40  1  0.421912  0.200679  0.357400  1
  Ni  Ni41  1  0.733509  0.092638  0.371224  1
  Ni  Ni42  1  0.043936  0.984206  0.385011  1
  Ni  Ni43  1  0.354722  0.875205  0.398930  1
  Ni  Ni44  1  0.665716  0.766770  0.412832  1
  Ni  Ni45  1  0.976500  0.658286  0.426689  1
  Ni  Ni46  1  0.287349  0.549515  0.440589  1
  Ni  Ni47  1  0.598267  0.440911  0.454486  1
  Ni  Ni48  1  0.909143  0.332362  0.468364  1
  Ni  Ni49  1  0.219965  0.223702  0.482242  1
  Ni  Ni50  1  0.530827  0.115079  0.496124  1
  Ni  Ni51  1  0.841717  0.006494  0.510008  1
  Ni  Ni52  1  0.152571  0.897845  0.523894  1
  Ni  Ni53  1  0.463436  0.789222  0.537783  1
  Ni  Ni54  1  0.774332  0.680678  0.551673  1
  Ni  Ni55  1  0.085189  0.572013  0.565573  1
  Ni  Ni56  1  0.395938  0.463353  0.579434  1
  Ni  Ni57  1  0.706756  0.354923  0.593274  1
  Ni  Ni58  1  0.017861  0.246126  0.607179  1
  Ni  Ni59  1  0.328663  0.137210  0.621073  1
  Ni  Ni60  1  0.639500  0.029241  0.634969  1
  Ni  Ni61  1  0.950778  0.920455  0.648974  1
  Ni  Ni62  1  0.260521  0.812198  0.662997  1
  Ni  Ni63  1  0.571366  0.703768  0.676479  1
  Ni  Ni64  1  0.883534  0.590483  0.690309  1
  Ni  Ni65  1  0.194093  0.482043  0.704594  1
  Ni  Ni66  1  0.507531  0.372863  0.718224  1
