# generated using pymatgen
data_FeC2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.59608037
_cell_length_b   8.54349015
_cell_length_c   5.95716062
_cell_angle_alpha   90.00000000
_cell_angle_beta   101.95000403
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeC2N3
_chemical_formula_sum   'Fe8 C16 N24'
_cell_volume   527.59983244
_cell_formula_units_Z   8
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
  Fe  Fe0  1  0.50000000  0.52912500  0.75000000  1
  Fe  Fe1  1  0.50000000  0.47087500  0.25000000  1
  Fe  Fe2  1  0.50000000  0.23810300  0.75000000  1
  Fe  Fe3  1  0.50000000  0.76189700  0.25000000  1
  Fe  Fe4  1  0.00000000  0.02912500  0.75000000  1
  Fe  Fe5  1  0.00000000  0.97087500  0.25000000  1
  Fe  Fe6  1  0.00000000  0.73810300  0.75000000  1
  Fe  Fe7  1  0.00000000  0.26189700  0.25000000  1
  C  C8  1  0.30365600  0.73632100  0.93545200  1
  C  C9  1  0.69634400  0.73632100  0.56454800  1
  C  C10  1  0.69634400  0.26367900  0.06454800  1
  C  C11  1  0.30365600  0.26367900  0.43545200  1
  C  C12  1  0.35883100  0.84816100  0.60702200  1
  C  C13  1  0.64116900  0.84816100  0.89297800  1
  C  C14  1  0.64116900  0.15183900  0.39297800  1
  C  C15  1  0.35883100  0.15183900  0.10702200  1
  C  C16  1  0.80365600  0.23632100  0.93545200  1
  C  C17  1  0.19634400  0.23632100  0.56454800  1
  C  C18  1  0.19634400  0.76367900  0.06454800  1
  C  C19  1  0.80365600  0.76367900  0.43545200  1
  C  C20  1  0.85883100  0.34816100  0.60702200  1
  C  C21  1  0.14116900  0.34816100  0.89297800  1
  C  C22  1  0.14116900  0.65183900  0.39297800  1
  C  C23  1  0.85883100  0.65183900  0.10702200  1
  N  N24  1  0.39673100  0.62477500  0.98863100  1
  N  N25  1  0.60326900  0.62477500  0.51136900  1
  N  N26  1  0.60326900  0.37522500  0.01136900  1
  N  N27  1  0.39673100  0.37522500  0.48863100  1
  N  N28  1  0.29255300  0.83776600  0.75858500  1
  N  N29  1  0.70744700  0.83776600  0.74141500  1
  N  N30  1  0.70744700  0.16223400  0.24141500  1
  N  N31  1  0.29255300  0.16223400  0.25858500  1
  N  N32  1  0.41047000  0.87136900  0.45021800  1
  N  N33  1  0.58953000  0.87136900  0.04978200  1
  N  N34  1  0.58953000  0.12863100  0.54978200  1
  N  N35  1  0.41047000  0.12863100  0.95021800  1
  N  N36  1  0.89673100  0.12477500  0.98863100  1
  N  N37  1  0.10326900  0.12477500  0.51136900  1
  N  N38  1  0.10326900  0.87522500  0.01136900  1
  N  N39  1  0.89673100  0.87522500  0.48863100  1
  N  N40  1  0.79255300  0.33776600  0.75858500  1
  N  N41  1  0.20744700  0.33776600  0.74141500  1
  N  N42  1  0.20744700  0.66223400  0.24141500  1
  N  N43  1  0.79255300  0.66223400  0.25858500  1
  N  N44  1  0.91047000  0.37136900  0.45021800  1
  N  N45  1  0.08953000  0.37136900  0.04978200  1
  N  N46  1  0.08953000  0.62863100  0.54978200  1
  N  N47  1  0.91047000  0.62863100  0.95021800  1
