# generated using pymatgen
data_FeCo4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73174000
_cell_length_b   3.72961000
_cell_length_c   17.97220000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo4N
_chemical_formula_sum   'Fe4 Co16 N4'
_cell_volume   250.13590820
_cell_formula_units_Z   4
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
  N  N0  1  0.00000000  0.00000000  0.00000000  1
  N  N1  1  0.00000000  0.50000000  0.50000000  1
  N  N2  1  0.00000000  0.00000000  0.79228000  1
  N  N3  1  0.00000000  0.50000000  0.29228000  1
  Co  Co4  1  0.50000000  0.00000000  0.39596000  1
  Co  Co5  1  0.50000000  0.50000000  0.89596000  1
  Co  Co6  1  0.00000000  0.00000000  0.68900000  1
  Co  Co7  1  0.00000000  0.50000000  0.18900000  1
  Co  Co8  1  0.50000000  0.00000000  0.99791000  1
  Co  Co9  1  0.50000000  0.50000000  0.49791000  1
  Co  Co10  1  0.00000000  0.00000000  0.89604000  1
  Co  Co11  1  0.00000000  0.50000000  0.39604000  1
  Co  Co12  1  0.50000000  0.00000000  0.60172000  1
  Co  Co13  1  0.50000000  0.50000000  0.10172000  1
  Co  Co14  1  0.00000000  0.00000000  0.29411000  1
  Co  Co15  1  0.00000000  0.50000000  0.79411000  1
  Co  Co16  1  0.00000000  0.00000000  0.10335000  1
  Co  Co17  1  0.00000000  0.50000000  0.60335000  1
  Co  Co18  1  0.50000000  0.00000000  0.18991000  1
  Co  Co19  1  0.50000000  0.50000000  0.68991000  1
  Fe  Fe20  1  0.50000000  0.00000000  0.79384000  1
  Fe  Fe21  1  0.50000000  0.50000000  0.29384000  1
  Fe  Fe22  1  0.00000000  0.00000000  0.49787000  1
  Fe  Fe23  1  0.00000000  0.50000000  0.99787000  1
