# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52711317
_cell_length_b   7.15902745
_cell_length_c   46.36293308
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.14592960
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe40 Ni40'
_cell_volume   1812.66255885
_cell_formula_units_Z   40
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  0.410591  0.940642  0.271673  1
  Fe  Fe2  1  0.910591  0.440642  0.271673  1
  Fe  Fe3  1  0.831111  0.864016  0.292125  1
  Fe  Fe4  1  0.331111  0.364016  0.292125  1
  Fe  Fe5  1  0.230592  0.831496  0.317056  1
  Fe  Fe6  1  0.730592  0.331496  0.317056  1
  Fe  Fe7  1  0.645955  0.774276  0.339455  1
  Fe  Fe8  1  0.145955  0.274276  0.339455  1
  Fe  Fe9  1  0.053838  0.729864  0.362694  1
  Fe  Fe10  1  0.553838  0.229864  0.362694  1
  Fe  Fe11  1  0.464809  0.678050  0.385097  1
  Fe  Fe12  1  0.964809  0.178050  0.385097  1
  Fe  Fe13  1  0.874059  0.630610  0.407944  1
  Fe  Fe14  1  0.374059  0.130610  0.407944  1
  Fe  Fe15  1  0.284127  0.580698  0.430588  1
  Fe  Fe16  1  0.784127  0.080698  0.430588  1
  Fe  Fe17  1  0.693979  0.532283  0.453383  1
  Fe  Fe18  1  0.193979  0.032283  0.453383  1
  Fe  Fe19  1  0.103862  0.482912  0.476068  1
  Fe  Fe20  1  0.603862  0.982912  0.476068  1
  Fe  Fe21  1  0.513707  0.434089  0.498809  1
  Fe  Fe22  1  0.013707  0.934089  0.498809  1
  Fe  Fe23  1  0.923599  0.385001  0.521529  1
  Fe  Fe24  1  0.423599  0.885001  0.521529  1
  Fe  Fe25  1  0.333421  0.335994  0.544249  1
  Fe  Fe26  1  0.833421  0.835994  0.544249  1
  Fe  Fe27  1  0.743376  0.287069  0.566990  1
  Fe  Fe28  1  0.243376  0.787069  0.566990  1
  Fe  Fe29  1  0.153017  0.237862  0.589672  1
  Fe  Fe30  1  0.653017  0.737862  0.589672  1
  Fe  Fe31  1  0.563353  0.189115  0.612460  1
  Fe  Fe32  1  0.063353  0.689115  0.612460  1
  Fe  Fe33  1  0.972374  0.139824  0.635145  1
  Fe  Fe34  1  0.472374  0.639824  0.635145  1
  Fe  Fe35  1  0.383680  0.091325  0.657936  1
  Fe  Fe36  1  0.883680  0.591325  0.657936  1
  Fe  Fe37  1  0.789729  0.040982  0.680589  1
  Fe  Fe38  1  0.289729  0.540982  0.680589  1
  Fe  Fe39  1  0.207612  0.990859  0.703812  1
  Fe  Fe40  1  0.707612  0.490859  0.703812  1
  Ni  Ni41  1  0.490721  0.075250  0.317240  1
  Ni  Ni42  1  0.990721  0.575250  0.317240  1
  Ni  Ni43  1  0.059975  0.128709  0.293840  1
  Ni  Ni44  1  0.559975  0.628709  0.293840  1
  Ni  Ni45  1  0.306256  0.977683  0.362471  1
  Ni  Ni46  1  0.806256  0.477683  0.362471  1
  Ni  Ni47  1  0.891327  0.027714  0.339601  1
  Ni  Ni48  1  0.391327  0.527714  0.339601  1
  Ni  Ni49  1  0.124934  0.880091  0.407981  1
  Ni  Ni50  1  0.624934  0.380091  0.407981  1
  Ni  Ni51  1  0.713177  0.929176  0.385094  1
  Ni  Ni52  1  0.213177  0.429176  0.385094  1
  Ni  Ni53  1  0.944191  0.782054  0.453373  1
  Ni  Ni54  1  0.444191  0.282054  0.453373  1
  Ni  Ni55  1  0.533771  0.831047  0.430599  1
  Ni  Ni56  1  0.033771  0.331047  0.430599  1
  Ni  Ni57  1  0.763783  0.684034  0.498812  1
  Ni  Ni58  1  0.263783  0.184034  0.498812  1
  Ni  Ni59  1  0.353716  0.733029  0.476065  1
  Ni  Ni60  1  0.853716  0.233029  0.476065  1
  Ni  Ni61  1  0.583427  0.585977  0.544245  1
  Ni  Ni62  1  0.083427  0.085977  0.544245  1
  Ni  Ni63  1  0.173563  0.635032  0.521528  1
  Ni  Ni64  1  0.673563  0.135032  0.521528  1
  Ni  Ni65  1  0.403141  0.487902  0.589687  1
  Ni  Ni66  1  0.903141  0.987902  0.589687  1
  Ni  Ni67  1  0.993370  0.537056  0.566991  1
  Ni  Ni68  1  0.493370  0.037056  0.566991  1
  Ni  Ni69  1  0.222917  0.389603  0.635037  1
  Ni  Ni70  1  0.722917  0.889603  0.635037  1
  Ni  Ni71  1  0.813087  0.439188  0.612470  1
  Ni  Ni72  1  0.313087  0.939188  0.612470  1
  Ni  Ni73  1  0.043137  0.290995  0.680522  1
  Ni  Ni74  1  0.543137  0.790995  0.680522  1
  Ni  Ni75  1  0.632870  0.341673  0.657982  1
  Ni  Ni76  1  0.132870  0.841673  0.657982  1
  Ni  Ni77  1  0.864543  0.190325  0.724865  1
  Ni  Ni78  1  0.364543  0.690325  0.724865  1
  Ni  Ni79  1  0.449889  0.244880  0.703912  1
  Ni  Ni80  1  0.949889  0.744880  0.703912  1
