# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66162980
_cell_length_b   7.18427897
_cell_length_c   47.99731272
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.14537864
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe24 Ni24'
_cell_volume   1220.42780057
_cell_formula_units_Z   24
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  0.960432  0.464825  0.283046  1
  Fe  Fe2  1  0.728642  0.926964  0.300535  1
  Fe  Fe3  1  0.496005  0.392017  0.318622  1
  Fe  Fe4  1  0.262943  0.857791  0.337664  1
  Fe  Fe5  1  0.030471  0.322434  0.355434  1
  Fe  Fe6  1  0.797597  0.787901  0.374578  1
  Fe  Fe7  1  0.565128  0.252521  0.392853  1
  Fe  Fe8  1  0.332548  0.717384  0.411377  1
  Fe  Fe9  1  0.099938  0.182301  0.430042  1
  Fe  Fe10  1  0.867411  0.647049  0.448435  1
  Fe  Fe11  1  0.634789  0.111995  0.467080  1
  Fe  Fe12  1  0.402236  0.576796  0.485576  1
  Fe  Fe13  1  0.169651  0.041665  0.504119  1
  Fe  Fe14  1  0.937078  0.506507  0.522662  1
  Fe  Fe15  1  0.704493  0.971374  0.541212  1
  Fe  Fe16  1  0.471930  0.436197  0.559713  1
  Fe  Fe17  1  0.239366  0.901023  0.578285  1
  Fe  Fe18  1  0.006727  0.366002  0.596854  1
  Fe  Fe19  1  0.774226  0.830701  0.615299  1
  Fe  Fe20  1  0.541533  0.295777  0.634045  1
  Fe  Fe21  1  0.308715  0.761131  0.652140  1
  Fe  Fe22  1  0.076600  0.224983  0.670806  1
  Fe  Fe23  1  0.843664  0.690741  0.689366  1
  Fe  Fe24  1  0.612275  0.152841  0.707533  1
  Ni  Ni25  1  0.343696  0.697376  0.291197  1
  Ni  Ni26  1  0.112504  0.158962  0.309123  1
  Ni  Ni27  1  0.878404  0.627080  0.328509  1
  Ni  Ni28  1  0.646685  0.090133  0.346519  1
  Ni  Ni29  1  0.414367  0.554508  0.365043  1
  Ni  Ni30  1  0.180991  0.020954  0.383691  1
  Ni  Ni31  1  0.949147  0.484330  0.402051  1
  Ni  Ni32  1  0.716101  0.950130  0.420768  1
  Ni  Ni33  1  0.483671  0.414680  0.439213  1
  Ni  Ni34  1  0.251162  0.879398  0.457772  1
  Ni  Ni35  1  0.018447  0.344526  0.476327  1
  Ni  Ni36  1  0.785980  0.809155  0.494839  1
  Ni  Ni37  1  0.553367  0.274082  0.513398  1
  Ni  Ni38  1  0.320768  0.738975  0.531924  1
  Ni  Ni39  1  0.088212  0.203786  0.550485  1
  Ni  Ni40  1  0.855678  0.668548  0.568990  1
  Ni  Ni41  1  0.622939  0.133727  0.587582  1
  Ni  Ni42  1  0.390661  0.597979  0.606045  1
  Ni  Ni43  1  0.157743  0.063514  0.624567  1
  Ni  Ni44  1  0.925240  0.528214  0.643258  1
  Ni  Ni45  1  0.693054  0.992284  0.661633  1
  Ni  Ni46  1  0.459960  0.458092  0.680450  1
  Ni  Ni47  1  0.229095  0.919672  0.698963  1
  Ni  Ni48  1  0.995045  0.386526  0.716586  1
