# generated using pymatgen
data_FeCo5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83877500
_cell_length_b   5.88679300
_cell_length_c   4.52768900
_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   182.27775389
_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  0.75000000  0.25000000  0.67925300  1.0
  Fe  Fe1  1  0.25000000  0.75000000  0.32074700  1.0
  Co  Co2  1  0.56519300  0.52487100  0.25253100  1.0
  Co  Co3  1  0.93480700  0.52487100  0.25253100  1.0
  Co  Co4  1  0.56519300  0.97512900  0.25253100  1.0
  Co  Co5  1  0.93480700  0.97512900  0.25253100  1.0
  Co  Co6  1  0.43480700  0.47512900  0.74746900  1.0
  Co  Co7  1  0.06519300  0.47512900  0.74746900  1.0
  Co  Co8  1  0.43480700  0.02487100  0.74746900  1.0
  Co  Co9  1  0.06519300  0.02487100  0.74746900  1.0
  Co  Co10  1  0.75000000  0.75000000  0.76108200  1.0
  Co  Co11  1  0.25000000  0.25000000  0.23891800  1.0
  N  N12  1  0.75000000  0.02621800  0.96926000  1.0
  N  N13  1  0.75000000  0.47378200  0.96926000  1.0
  N  N14  1  0.25000000  0.97378200  0.03074000  1.0
  N  N15  1  0.25000000  0.52621800  0.03074000  1.0
  N  N16  1  0.48842000  0.75000000  0.54546000  1.0
  N  N17  1  0.01158000  0.75000000  0.54546000  1.0
  N  N18  1  0.51158000  0.25000000  0.45454000  1.0
  N  N19  1  0.98842000  0.25000000  0.45454000  1.0