# generated using pymatgen
data_FeNi5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80432831
_cell_length_b   8.56063333
_cell_length_c   4.08050714
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi5N4
_chemical_formula_sum   'Fe2 Ni10 N8'
_cell_volume   202.75520281
_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  0.27740100  0.00000000  0.50000000  1
  Fe  Fe1  1  0.72259900  0.50000000  0.00000000  1
  Ni  Ni2  1  0.71405200  0.28624600  0.33915900  1
  Ni  Ni3  1  0.71405200  0.28624600  0.66084100  1
  Ni  Ni4  1  0.71405200  0.71375400  0.33915900  1
  Ni  Ni5  1  0.71405200  0.71375400  0.66084100  1
  Ni  Ni6  1  0.28594800  0.21375400  0.16084100  1
  Ni  Ni7  1  0.28594800  0.21375400  0.83915900  1
  Ni  Ni8  1  0.28594800  0.78624600  0.16084100  1
  Ni  Ni9  1  0.28594800  0.78624600  0.83915900  1
  Ni  Ni10  1  0.20270500  0.50000000  0.50000000  1
  Ni  Ni11  1  0.79729500  0.00000000  0.00000000  1
  N  N12  1  0.98816400  0.77342600  0.50000000  1
  N  N13  1  0.98816400  0.22657400  0.50000000  1
  N  N14  1  0.01183600  0.72657400  0.00000000  1
  N  N15  1  0.01183600  0.27342600  0.00000000  1
  N  N16  1  0.51728600  0.50000000  0.19247000  1
  N  N17  1  0.51728600  0.50000000  0.80753000  1
  N  N18  1  0.48271400  0.00000000  0.30753000  1
  N  N19  1  0.48271400  0.00000000  0.69247000  1
