# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52857922
_cell_length_b   4.26684616
_cell_length_c   45.69738012
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.55900364
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe13 Ni13'
_cell_volume   625.773215087
_cell_formula_units_Z   13
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  0.714512  0.675825  0.301093  1
  Fe  Fe2  1  0.106494  0.459791  0.336171  1
  Fe  Fe3  1  0.502399  0.251557  0.370312  1
  Fe  Fe4  1  0.898602  0.043896  0.404744  1
  Fe  Fe5  1  0.294574  0.835790  0.439299  1
  Fe  Fe6  1  0.690463  0.627514  0.473788  1
  Fe  Fe7  1  0.086408  0.419348  0.508272  1
  Fe  Fe8  1  0.482333  0.211143  0.542769  1
  Fe  Fe9  1  0.878298  0.003021  0.577285  1
  Fe  Fe10  1  0.274297  0.794958  0.611739  1
  Fe  Fe11  1  0.669951  0.586202  0.646162  1
  Fe  Fe12  1  0.065317  0.376822  0.680703  1
  Fe  Fe13  1  0.456390  0.158177  0.715591  1
  Ni  Ni14  1  0.016870  0.280971  0.285120  1
  Ni  Ni15  1  0.409994  0.066806  0.318404  1
  Ni  Ni16  1  0.804462  0.855680  0.352861  1
  Ni  Ni17  1  0.200784  0.648290  0.387603  1
  Ni  Ni18  1  0.596572  0.439814  0.422057  1
  Ni  Ni19  1  0.992477  0.231566  0.456524  1
  Ni  Ni20  1  0.388444  0.023448  0.491031  1
  Ni  Ni21  1  0.784390  0.815285  0.525529  1
  Ni  Ni22  1  0.180305  0.607060  0.560009  1
  Ni  Ni23  1  0.576205  0.398807  0.594499  1
  Ni  Ni24  1  0.972324  0.190998  0.629088  1
  Ni  Ni25  1  0.367835  0.981985  0.663472  1
  Ni  Ni26  1  0.760517  0.767326  0.697560  1
