# generated using pymatgen
data_Fe(C2N3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13534153
_cell_length_b   13.79533832
_cell_length_c   11.82408381
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(C2N3)3
_chemical_formula_sum   'Fe4 C24 N36'
_cell_volume   1163.89719174
_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
  Fe  Fe0  1  0.50000000  0.78477000  0.25000000  1
  Fe  Fe1  1  0.00000000  0.71523000  0.75000000  1
  Fe  Fe2  1  0.00000000  0.28477000  0.25000000  1
  Fe  Fe3  1  0.50000000  0.21523000  0.75000000  1
  C  C4  1  0.84090800  0.63214100  0.25000000  1
  C  C5  1  0.34090800  0.86785900  0.75000000  1
  C  C6  1  0.65909200  0.86785900  0.75000000  1
  C  C7  1  0.15909200  0.63214100  0.25000000  1
  C  C8  1  0.34106800  0.64334200  0.90406000  1
  C  C9  1  0.84106800  0.85665800  0.09594000  1
  C  C10  1  0.34106800  0.64334200  0.59594000  1
  C  C11  1  0.84106800  0.85665800  0.40406000  1
  C  C12  1  0.15893200  0.85665800  0.09594000  1
  C  C13  1  0.65893200  0.64334200  0.90406000  1
  C  C14  1  0.15893200  0.85665800  0.40406000  1
  C  C15  1  0.65893200  0.64334200  0.59594000  1
  C  C16  1  0.34090800  0.13214100  0.25000000  1
  C  C17  1  0.84090800  0.36785900  0.75000000  1
  C  C18  1  0.15909200  0.36785900  0.75000000  1
  C  C19  1  0.65909200  0.13214100  0.25000000  1
  C  C20  1  0.84106800  0.14334200  0.90406000  1
  C  C21  1  0.34106800  0.35665800  0.09594000  1
  C  C22  1  0.84106800  0.14334200  0.59594000  1
  C  C23  1  0.34106800  0.35665800  0.40406000  1
  C  C24  1  0.65893200  0.35665800  0.09594000  1
  C  C25  1  0.15893200  0.14334200  0.90406000  1
  C  C26  1  0.65893200  0.35665800  0.40406000  1
  C  C27  1  0.15893200  0.14334200  0.59594000  1
  N  N28  1  0.00000000  0.58775800  0.25000000  1
  N  N29  1  0.50000000  0.91224200  0.75000000  1
  N  N30  1  0.69036000  0.66756600  0.25000000  1
  N  N31  1  0.19036000  0.83243400  0.75000000  1
  N  N32  1  0.80964000  0.83243400  0.75000000  1
  N  N33  1  0.30964000  0.66756600  0.25000000  1
  N  N34  1  0.50000000  0.62471300  0.95081600  1
  N  N35  1  0.00000000  0.87528700  0.04918400  1
  N  N36  1  0.50000000  0.62471300  0.54918400  1
  N  N37  1  0.00000000  0.87528700  0.45081600  1
  N  N38  1  0.19047600  0.65819800  0.86679300  1
  N  N39  1  0.69047600  0.84180200  0.13320700  1
  N  N40  1  0.19047600  0.65819800  0.63320700  1
  N  N41  1  0.69047600  0.84180200  0.36679300  1
  N  N42  1  0.30952400  0.84180200  0.13320700  1
  N  N43  1  0.80952400  0.65819800  0.86679300  1
  N  N44  1  0.30952400  0.84180200  0.36679300  1
  N  N45  1  0.80952400  0.65819800  0.63320700  1
  N  N46  1  0.50000000  0.08775700  0.25000000  1
  N  N47  1  0.00000000  0.41224300  0.75000000  1
  N  N48  1  0.19036000  0.16756600  0.25000000  1
  N  N49  1  0.69036000  0.33243400  0.75000000  1
  N  N50  1  0.30964000  0.33243400  0.75000000  1
  N  N51  1  0.80964000  0.16756600  0.25000000  1
  N  N52  1  0.00000000  0.12471300  0.95081600  1
  N  N53  1  0.50000000  0.37528700  0.04918400  1
  N  N54  1  0.00000000  0.12471300  0.54918400  1
  N  N55  1  0.50000000  0.37528700  0.45081600  1
  N  N56  1  0.69047600  0.15819800  0.86679300  1
  N  N57  1  0.19047600  0.34180200  0.13320700  1
  N  N58  1  0.69047600  0.15819800  0.63320700  1
  N  N59  1  0.19047600  0.34180200  0.36679300  1
  N  N60  1  0.80952400  0.34180200  0.13320700  1
  N  N61  1  0.30952400  0.15819800  0.86679300  1
  N  N62  1  0.80952400  0.34180200  0.36679300  1
  N  N63  1  0.30952400  0.15819800  0.63320700  1
