# generated using pymatgen
data_FeCo4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71700000
_cell_length_b   3.70900000
_cell_length_c   18.20119000
_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   250.92803036
_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  0.99997000  1
  N  N1  1  0.00000000  0.50000000  0.49997000  1
  N  N2  1  0.00000000  0.00000000  0.79211000  1
  N  N3  1  0.00000000  0.50000000  0.29211000  1
  Co  Co4  1  0.00000000  0.00000000  0.69132000  1
  Co  Co5  1  0.00000000  0.50000000  0.19132000  1
  Co  Co6  1  0.50000000  0.00000000  0.99644000  1
  Co  Co7  1  0.50000000  0.50000000  0.49644000  1
  Co  Co8  1  0.00000000  0.00000000  0.89633000  1
  Co  Co9  1  0.00000000  0.50000000  0.39633000  1
  Co  Co10  1  0.50000000  0.00000000  0.79575000  1
  Co  Co11  1  0.50000000  0.50000000  0.29575000  1
  Co  Co12  1  0.50000000  0.00000000  0.60186000  1
  Co  Co13  1  0.50000000  0.50000000  0.10186000  1
  Co  Co14  1  0.00000000  0.00000000  0.29540000  1
  Co  Co15  1  0.00000000  0.50000000  0.79540000  1
  Co  Co16  1  0.00000000  0.00000000  0.49865000  1
  Co  Co17  1  0.00000000  0.50000000  0.99865000  1
  Co  Co18  1  0.00000000  0.00000000  0.10100000  1
  Co  Co19  1  0.00000000  0.50000000  0.60100000  1
  Fe  Fe20  1  0.50000000  0.00000000  0.39650000  1
  Fe  Fe21  1  0.50000000  0.50000000  0.89650000  1
  Fe  Fe22  1  0.50000000  0.00000000  0.18932000  1
  Fe  Fe23  1  0.50000000  0.50000000  0.68932000  1
