# generated using pymatgen
data_Fe2Co3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70923000
_cell_length_b   3.77159000
_cell_length_c   18.07741000
_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   252.89744824
_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  0.79246000  1
  N  N3  1  0.00000000  0.50000000  0.29246000  1
  Co  Co4  1  0.00000000  0.00000000  0.69055000  1
  Co  Co5  1  0.00000000  0.50000000  0.19055000  1
  Co  Co6  1  0.50000000  0.00000000  0.99899000  1
  Co  Co7  1  0.50000000  0.50000000  0.49899000  1
  Co  Co8  1  0.00000000  0.00000000  0.89653000  1
  Co  Co9  1  0.00000000  0.50000000  0.39653000  1
  Co  Co10  1  0.50000000  0.00000000  0.79512000  1
  Co  Co11  1  0.50000000  0.50000000  0.29512000  1
  Co  Co12  1  0.50000000  0.00000000  0.59966000  1
  Co  Co13  1  0.50000000  0.50000000  0.09966000  1
  Co  Co14  1  0.00000000  0.00000000  0.10245000  1
  Co  Co15  1  0.00000000  0.50000000  0.60245000  1
  Fe  Fe16  1  0.50000000  0.00000000  0.39573000  1
  Fe  Fe17  1  0.50000000  0.50000000  0.89573000  1
  Fe  Fe18  1  0.00000000  0.00000000  0.29479000  1
  Fe  Fe19  1  0.00000000  0.50000000  0.79479000  1
  Fe  Fe20  1  0.00000000  0.00000000  0.50030000  1
  Fe  Fe21  1  0.00000000  0.50000000  0.00030000  1
  Fe  Fe22  1  0.50000000  0.00000000  0.19083000  1
  Fe  Fe23  1  0.50000000  0.50000000  0.69083000  1
