# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59110907
_cell_length_b   4.26489490
_cell_length_c   46.91842369
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.75971865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe22 Ni22'
_cell_volume   1079.44713034
_cell_formula_units_Z   22
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  0.208903  0.310894  0.294831  1
  Fe  Fe2  1  0.643153  0.162142  0.315303  1
  Fe  Fe3  1  0.074474  0.008328  0.335553  1
  Fe  Fe4  1  0.503284  0.861302  0.355149  1
  Fe  Fe5  1  0.932745  0.713010  0.375191  1
  Fe  Fe6  1  0.362370  0.565500  0.395113  1
  Fe  Fe7  1  0.791957  0.417358  0.415186  1
  Fe  Fe8  1  0.221725  0.269413  0.435224  1
  Fe  Fe9  1  0.651331  0.121255  0.455232  1
  Fe  Fe10  1  0.080976  0.973190  0.475245  1
  Fe  Fe11  1  0.510585  0.825161  0.495254  1
  Fe  Fe12  1  0.940210  0.677105  0.515271  1
  Fe  Fe13  1  0.369837  0.529038  0.535281  1
  Fe  Fe14  1  0.799518  0.380948  0.555304  1
  Fe  Fe15  1  0.229139  0.232927  0.575335  1
  Fe  Fe16  1  0.658796  0.084962  0.595359  1
  Fe  Fe17  1  0.088358  0.937044  0.615346  1
  Fe  Fe18  1  0.517757  0.788865  0.635262  1
  Fe  Fe19  1  0.948117  0.639894  0.655281  1
  Fe  Fe20  1  0.377409  0.492968  0.675172  1
  Fe  Fe21  1  0.806231  0.338848  0.695772  1
  Fe  Fe22  1  0.245803  0.187402  0.715482  1
  Ni  Ni23  1  0.995669  0.883802  0.286399  1
  Ni  Ni24  1  0.427349  0.736486  0.305244  1
  Ni  Ni25  1  0.858529  0.583570  0.325114  1
  Ni  Ni26  1  0.287814  0.436055  0.344911  1
  Ni  Ni27  1  0.717701  0.287276  0.365109  1
  Ni  Ni28  1  0.147789  0.139830  0.385234  1
  Ni  Ni29  1  0.577311  0.991428  0.405200  1
  Ni  Ni30  1  0.006918  0.843328  0.425212  1
  Ni  Ni31  1  0.436490  0.695265  0.445203  1
  Ni  Ni32  1  0.866116  0.547212  0.465230  1
  Ni  Ni33  1  0.295771  0.399197  0.485250  1
  Ni  Ni34  1  0.725418  0.251133  0.505267  1
  Ni  Ni35  1  0.155053  0.103075  0.525286  1
  Ni  Ni36  1  0.584675  0.955058  0.545298  1
  Ni  Ni37  1  0.014258  0.806936  0.565310  1
  Ni  Ni38  1  0.443899  0.658833  0.585294  1
  Ni  Ni39  1  0.873528  0.510747  0.605347  1
  Ni  Ni40  1  0.303472  0.362954  0.625401  1
  Ni  Ni41  1  0.733060  0.214334  0.645500  1
  Ni  Ni42  1  0.161286  0.068002  0.665411  1
  Ni  Ni43  1  0.594673  0.913640  0.684954  1
  Ni  Ni44  1  0.025953  0.764412  0.704799  1
