# generated using pymatgen
data_FeCo4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70200000
_cell_length_b   3.74000000
_cell_length_c   18.07443000
_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   250.24915908
_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  0.20797000  1
  N  N3  1  0.00000000  0.50000000  0.70797000  1
  Co  Co4  1  0.00000000  0.00000000  0.89754000  1
  Co  Co5  1  0.00000000  0.50000000  0.39754000  1
  Co  Co6  1  0.50000000  0.00000000  0.20480000  1
  Co  Co7  1  0.50000000  0.50000000  0.70480000  1
  Co  Co8  1  0.00000000  0.00000000  0.10367000  1
  Co  Co9  1  0.00000000  0.50000000  0.60367000  1
  Co  Co10  1  0.50000000  0.00000000  0.00225000  1
  Co  Co11  1  0.50000000  0.50000000  0.50225000  1
  Co  Co12  1  0.50000000  0.00000000  0.80984000  1
  Co  Co13  1  0.50000000  0.50000000  0.30984000  1
  Co  Co14  1  0.00000000  0.00000000  0.50100000  1
  Co  Co15  1  0.00000000  0.50000000  0.00100000  1
  Co  Co16  1  0.00000000  0.00000000  0.31096000  1
  Co  Co17  1  0.00000000  0.50000000  0.81096000  1
  Co  Co18  1  0.50000000  0.00000000  0.39682000  1
  Co  Co19  1  0.50000000  0.50000000  0.89682000  1
  Fe  Fe20  1  0.50000000  0.00000000  0.60444000  1
  Fe  Fe21  1  0.50000000  0.50000000  0.10444000  1
  Fe  Fe22  1  0.00000000  0.00000000  0.70755000  1
  Fe  Fe23  1  0.00000000  0.50000000  0.20755000  1
