# generated using pymatgen
data_Fe2Co5N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72434000
_cell_length_b   3.69517000
_cell_length_c   24.78160000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Co5N
_chemical_formula_sum   'Fe8 Co20 N4'
_cell_volume   341.04609998
_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  0.15256000  1
  N  N3  1  0.00000000  0.50000000  0.65256000  1
  Co  Co4  1  0.00000000  0.00000000  0.79222000  1
  Co  Co5  1  0.00000000  0.50000000  0.29222000  1
  Co  Co6  1  0.50000000  0.00000000  0.72583000  1
  Co  Co7  1  0.50000000  0.50000000  0.22583000  1
  Co  Co8  1  0.50000000  0.00000000  0.85857000  1
  Co  Co9  1  0.50000000  0.50000000  0.35857000  1
  Co  Co10  1  0.00000000  0.00000000  0.50256000  1
  Co  Co11  1  0.00000000  0.50000000  0.00256000  1
  Co  Co12  1  0.00000000  0.00000000  0.65049000  1
  Co  Co13  1  0.00000000  0.50000000  0.15049000  1
  Co  Co14  1  0.00000000  0.00000000  0.22757000  1
  Co  Co15  1  0.00000000  0.50000000  0.72757000  1
  Co  Co16  1  0.50000000  0.00000000  0.00225000  1
  Co  Co17  1  0.50000000  0.50000000  0.50225000  1
  Co  Co18  1  0.00000000  0.00000000  0.07630000  1
  Co  Co19  1  0.00000000  0.50000000  0.57630000  1
  Co  Co20  1  0.00000000  0.00000000  0.35824000  1
  Co  Co21  1  0.00000000  0.50000000  0.85824000  1
  Co  Co22  1  0.00000000  0.00000000  0.92584000  1
  Co  Co23  1  0.00000000  0.50000000  0.42584000  1
  Fe  Fe24  1  0.50000000  0.00000000  0.57659000  1
  Fe  Fe25  1  0.50000000  0.50000000  0.07659000  1
  Fe  Fe26  1  0.50000000  0.00000000  0.29287000  1
  Fe  Fe27  1  0.50000000  0.50000000  0.79287000  1
  Fe  Fe28  1  0.50000000  0.00000000  0.42383000  1
  Fe  Fe29  1  0.50000000  0.50000000  0.92383000  1
  Fe  Fe30  1  0.50000000  0.00000000  0.15239000  1
  Fe  Fe31  1  0.50000000  0.50000000  0.65239000  1
