# generated using pymatgen
data_Fe2Co3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74500000
_cell_length_b   3.73700000
_cell_length_c   18.06941000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Co3N
_chemical_formula_sum   'Fe8 Co12 N4'
_cell_volume   252.88256746
_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  0.79271000  1
  N  N3  1  0.00000000  0.50000000  0.29271000  1
  Co  Co4  1  0.00000000  0.00000000  0.69047000  1
  Co  Co5  1  0.00000000  0.50000000  0.19047000  1
  Co  Co6  1  0.50000000  0.00000000  0.99917000  1
  Co  Co7  1  0.50000000  0.50000000  0.49917000  1
  Co  Co8  1  0.00000000  0.00000000  0.89671000  1
  Co  Co9  1  0.00000000  0.50000000  0.39671000  1
  Co  Co10  1  0.50000000  0.00000000  0.60000000  1
  Co  Co11  1  0.50000000  0.50000000  0.10000000  1
  Co  Co12  1  0.00000000  0.00000000  0.29440000  1
  Co  Co13  1  0.00000000  0.50000000  0.79440000  1
  Co  Co14  1  0.00000000  0.00000000  0.10251000  1
  Co  Co15  1  0.00000000  0.50000000  0.60251000  1
  Fe  Fe16  1  0.50000000  0.00000000  0.39596000  1
  Fe  Fe17  1  0.50000000  0.50000000  0.89596000  1
  Fe  Fe18  1  0.50000000  0.00000000  0.79481000  1
  Fe  Fe19  1  0.50000000  0.50000000  0.29481000  1
  Fe  Fe20  1  0.00000000  0.00000000  0.50023000  1
  Fe  Fe21  1  0.00000000  0.50000000  0.00023000  1
  Fe  Fe22  1  0.50000000  0.00000000  0.19102000  1
  Fe  Fe23  1  0.50000000  0.50000000  0.69102000  1
