# generated using pymatgen
data_Fe3Co3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70950000
_cell_length_b   3.70950000
_cell_length_c   10.82800000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Co3N
_chemical_formula_sum   'Fe6 Co6 N2'
_cell_volume   148.99750563
_cell_formula_units_Z   2
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  0.17582000  1
  N  N1  1  0.00000000  0.00000000  0.82418000  1
  Co  Co2  1  0.00000000  0.00000000  0.65154000  1
  Co  Co3  1  0.00000000  0.00000000  0.34846000  1
  Co  Co4  1  0.00000000  0.50000000  0.82263000  1
  Co  Co5  1  0.50000000  0.00000000  0.17737000  1
  Co  Co6  1  0.00000000  0.50000000  0.50060000  1
  Co  Co7  1  0.50000000  0.00000000  0.49940000  1
  Fe  Fe8  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe9  1  0.50000000  0.50000000  0.34977000  1
  Fe  Fe10  1  0.50000000  0.50000000  0.65023000  1
  Fe  Fe11  1  0.00000000  0.50000000  0.17706000  1
  Fe  Fe12  1  0.50000000  0.00000000  0.82294000  1
  Fe  Fe13  1  0.00000000  0.00000000  0.00000000  1
