# generated using pymatgen
data_FeCo5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88679284
_cell_length_b   6.83877514
_cell_length_c   4.52768943
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo5N4
_chemical_formula_sum   'Fe2 Co10 N8'
_cell_volume   182.27776998
_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  0.32074700  0.00000000  0.50000000  1
  Fe  Fe1  1  0.67925300  0.50000000  0.00000000  1
  Co  Co2  1  0.74746900  0.27487100  0.31519300  1
  Co  Co3  1  0.74746900  0.27487100  0.68480700  1
  Co  Co4  1  0.74746900  0.72512900  0.31519300  1
  Co  Co5  1  0.74746900  0.72512900  0.68480700  1
  Co  Co6  1  0.25253100  0.22512900  0.18480700  1
  Co  Co7  1  0.25253100  0.22512900  0.81519300  1
  Co  Co8  1  0.25253100  0.77487100  0.18480700  1
  Co  Co9  1  0.25253100  0.77487100  0.81519300  1
  Co  Co10  1  0.23891800  0.50000000  0.50000000  1
  Co  Co11  1  0.76108200  0.00000000  0.00000000  1
  N  N12  1  0.03074000  0.77621800  0.50000000  1
  N  N13  1  0.03074000  0.22378200  0.50000000  1
  N  N14  1  0.96926000  0.72378200  0.00000000  1
  N  N15  1  0.96926000  0.27621800  0.00000000  1
  N  N16  1  0.45454000  0.50000000  0.23842000  1
  N  N17  1  0.45454000  0.50000000  0.76158000  1
  N  N18  1  0.54546000  0.00000000  0.26158000  1
  N  N19  1  0.54546000  0.00000000  0.73842000  1
