# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03321986
_cell_length_b   4.31292821
_cell_length_c   4.96867620
_cell_angle_alpha   90.00008499
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe2 Ni6'
_cell_volume   86.43006144
_cell_formula_units_Z   2
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  Fe0  1  0.50000000  0.33274881  0.49996651  1.0
  Fe  Fe1  1  0.00000000  0.66725796  0.00003326  1.0
  Ni  Ni2  1  0.00000000  0.67233105  0.49995637  1.0
  Ni  Ni3  1  0.50000000  0.32763914  0.00004412  1.0
  Ni  Ni4  1  0.50000000  0.83213851  0.74651633  1.0
  Ni  Ni5  1  -0.00000000  0.16786318  0.24666503  1.0
  Ni  Ni6  1  -0.00000000  0.16787361  0.75333525  1.0
  Ni  Ni7  1  0.50000000  0.83214873  0.25348314  1.0