# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50029939
_cell_length_b   10.36530859
_cell_length_c   46.68259158
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.66350550
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe36 Ni36'
_cell_volume   1669.69007273
_cell_formula_units_Z   36
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  0.682788  0.948500  0.284958  1
  Fe  Fe2  1  0.843748  0.270883  0.297075  1
  Fe  Fe3  1  0.004788  0.593046  0.309313  1
  Fe  Fe4  1  0.167656  0.918525  0.322790  1
  Fe  Fe5  1  0.328879  0.241193  0.334850  1
  Fe  Fe6  1  0.490305  0.564114  0.347001  1
  Fe  Fe7  1  0.652282  0.888027  0.359537  1
  Fe  Fe8  1  0.814149  0.211846  0.371965  1
  Fe  Fe9  1  0.975722  0.535064  0.384150  1
  Fe  Fe10  1  0.137354  0.858366  0.396434  1
  Fe  Fe11  1  0.299382  0.182449  0.408953  1
  Fe  Fe12  1  0.461018  0.505793  0.421220  1
  Fe  Fe13  1  0.622624  0.829061  0.433499  1
  Fe  Fe14  1  0.784498  0.152840  0.445918  1
  Fe  Fe15  1  0.946269  0.476437  0.458269  1
  Fe  Fe16  1  0.107925  0.799808  0.470571  1
  Fe  Fe17  1  0.269678  0.123356  0.482918  1
  Fe  Fe18  1  0.431465  0.446976  0.495291  1
  Fe  Fe19  1  0.593182  0.770468  0.507616  1
  Fe  Fe20  1  0.754929  0.094009  0.519956  1
  Fe  Fe21  1  0.916657  0.417512  0.532311  1
  Fe  Fe22  1  0.078392  0.741038  0.544630  1
  Fe  Fe23  1  0.240181  0.064663  0.557005  1
  Fe  Fe24  1  0.401897  0.388140  0.569359  1
  Fe  Fe25  1  0.563610  0.711618  0.581641  1
  Fe  Fe26  1  0.725369  0.035196  0.594042  1
  Fe  Fe27  1  0.887191  0.358873  0.606414  1
  Fe  Fe28  1  0.048875  0.682284  0.618662  1
  Fe  Fe29  1  0.210418  0.005471  0.630965  1
  Fe  Fe30  1  0.372534  0.329719  0.643398  1
  Fe  Fe31  1  0.534128  0.652904  0.655772  1
  Fe  Fe32  1  0.695533  0.975856  0.667955  1
  Fe  Fe33  1  0.857712  0.300306  0.680539  1
  Fe  Fe34  1  0.018974  0.622655  0.693688  1
  Fe  Fe35  1  0.180647  0.946214  0.705730  1
  Fe  Fe36  1  0.341888  0.269506  0.717684  1
  Ni  Ni37  1  0.102126  0.786702  0.280131  1
  Ni  Ni38  1  0.262854  0.108937  0.291557  1
  Ni  Ni39  1  0.424310  0.432068  0.303606  1
  Ni  Ni40  1  0.586251  0.755702  0.316227  1
  Ni  Ni41  1  0.748210  0.079766  0.328795  1
  Ni  Ni42  1  0.909458  0.402413  0.340998  1
  Ni  Ni43  1  0.071141  0.725763  0.353130  1
  Ni  Ni44  1  0.233388  0.050266  0.365806  1
  Ni  Ni45  1  0.394950  0.373493  0.378016  1
  Ni  Ni46  1  0.556484  0.696612  0.390253  1
  Ni  Ni47  1  0.718372  0.020409  0.402734  1
  Ni  Ni48  1  0.880224  0.344170  0.415094  1
  Ni  Ni49  1  0.041823  0.667432  0.427355  1
  Ni  Ni50  1  0.203532  0.990893  0.439695  1
  Ni  Ni51  1  0.365410  0.314688  0.452113  1
  Ni  Ni52  1  0.527094  0.638118  0.464417  1
  Ni  Ni53  1  0.688787  0.961555  0.476732  1
  Ni  Ni54  1  0.850582  0.285186  0.489114  1
  Ni  Ni55  1  0.012319  0.608714  0.501452  1
  Ni  Ni56  1  0.174057  0.932243  0.513783  1
  Ni  Ni57  1  0.335796  0.255764  0.526139  1
  Ni  Ni58  1  0.497518  0.579262  0.538473  1
  Ni  Ni59  1  0.659299  0.902876  0.550812  1
  Ni  Ni60  1  0.821038  0.226400  0.563188  1
  Ni  Ni61  1  0.982748  0.549866  0.575498  1
  Ni  Ni62  1  0.144469  0.873370  0.587801  1
  Ni  Ni63  1  0.306274  0.197026  0.600233  1
  Ni  Ni64  1  0.468075  0.520654  0.612554  1
  Ni  Ni65  1  0.629584  0.843749  0.624847  1
  Ni  Ni66  1  0.791503  0.167657  0.637292  1
  Ni  Ni67  1  0.953493  0.491609  0.649627  1
  Ni  Ni68  1  0.114785  0.814272  0.661899  1
  Ni  Ni69  1  0.276439  0.137758  0.674061  1
  Ni  Ni70  1  0.438538  0.461807  0.686969  1
  Ni  Ni71  1  0.600133  0.785025  0.699085  1
  Ni  Ni72  1  0.761269  0.107770  0.711178  1
