# generated using pymatgen
data_Fe2Co3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76200000
_cell_length_b   3.73000000
_cell_length_c   17.99552000
_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   252.51781548
_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  0.79207000  1
  N  N3  1  0.00000000  0.50000000  0.29207000  1
  Co  Co4  1  0.00000000  0.00000000  0.10355000  1
  Co  Co5  1  0.00000000  0.50000000  0.60355000  1
  Co  Co6  1  0.00000000  0.00000000  0.89689000  1
  Co  Co7  1  0.00000000  0.50000000  0.39689000  1
  Co  Co8  1  0.50000000  0.00000000  0.19115000  1
  Co  Co9  1  0.50000000  0.50000000  0.69115000  1
  Co  Co10  1  0.00000000  0.00000000  0.49951000  1
  Co  Co11  1  0.00000000  0.50000000  0.99951000  1
  Co  Co12  1  0.00000000  0.00000000  0.68759000  1
  Co  Co13  1  0.00000000  0.50000000  0.18759000  1
  Co  Co14  1  0.50000000  0.00000000  0.60116000  1
  Co  Co15  1  0.50000000  0.50000000  0.10116000  1
  Fe  Fe16  1  0.50000000  0.00000000  0.39543000  1
  Fe  Fe17  1  0.50000000  0.50000000  0.89543000  1
  Fe  Fe18  1  0.50000000  0.00000000  0.79173000  1
  Fe  Fe19  1  0.50000000  0.50000000  0.29173000  1
  Fe  Fe20  1  0.50000000  0.00000000  0.00096000  1
  Fe  Fe21  1  0.50000000  0.50000000  0.50096000  1
  Fe  Fe22  1  0.00000000  0.00000000  0.29207000  1
  Fe  Fe23  1  0.00000000  0.50000000  0.79207000  1
