# generated using pymatgen
data_Fe2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26969704
_cell_length_b   5.26969704
_cell_length_c   27.70866965
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2(CN2)3
_chemical_formula_sum   'Fe12 C18 N36'
_cell_volume   666.37332279
_cell_formula_units_Z   6
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  0.66666700  0.33333300  0.49890200  1
  Fe  Fe1  1  0.00000000  0.00000000  0.66556800  1
  Fe  Fe2  1  0.33333300  0.66666700  0.50109800  1
  Fe  Fe3  1  0.00000000  0.00000000  0.33443200  1
  Fe  Fe4  1  0.33333300  0.66666700  0.83223500  1
  Fe  Fe5  1  0.66666700  0.33333300  0.99890200  1
  Fe  Fe6  1  0.00000000  0.00000000  0.83443200  1
  Fe  Fe7  1  0.66666700  0.33333300  0.66776500  1
  Fe  Fe8  1  0.00000000  0.00000000  0.16556800  1
  Fe  Fe9  1  0.33333300  0.66666700  0.33223500  1
  Fe  Fe10  1  0.66666700  0.33333300  0.16776500  1
  Fe  Fe11  1  0.33333300  0.66666700  0.00109800  1
  C  C12  1  0.33333300  0.34415300  0.41666700  1
  C  C13  1  0.01081900  0.66666700  0.41666700  1
  C  C14  1  0.65584700  0.98918100  0.41666700  1
  C  C15  1  0.34415300  0.01081900  0.58333300  1
  C  C16  1  0.66666700  0.65584700  0.58333300  1
  C  C17  1  0.98918100  0.33333300  0.58333300  1
  C  C18  1  0.00000000  0.67748600  0.75000000  1
  C  C19  1  0.67748600  0.00000000  0.75000000  1
  C  C20  1  0.32251400  0.32251400  0.75000000  1
  C  C21  1  0.01081900  0.34415300  0.91666700  1
  C  C22  1  0.33333300  0.98918100  0.91666700  1
  C  C23  1  0.65584700  0.66666700  0.91666700  1
  C  C24  1  0.66666700  0.01081900  0.08333300  1
  C  C25  1  0.34415300  0.33333300  0.08333300  1
  C  C26  1  0.98918100  0.65584700  0.08333300  1
  C  C27  1  0.67748600  0.67748600  0.25000000  1
  C  C28  1  -0.00000000  0.32251400  0.25000000  1
  C  C29  1  0.32251400  0.00000000  0.25000000  1
  N  N30  1  0.38381100  0.37769900  0.46026100  1
  N  N31  1  0.99388800  0.61618900  0.46026100  1
  N  N32  1  0.62230100  0.00611200  0.46026100  1
  N  N33  1  0.32722100  0.04436500  0.62692800  1
  N  N34  1  0.71714400  0.67277900  0.62692800  1
  N  N35  1  0.95563500  0.28285600  0.62692800  1
  N  N36  1  0.61618900  0.62230100  0.53973900  1
  N  N37  1  0.00611200  0.38381100  0.53973900  1
  N  N38  1  0.37769900  0.99388800  0.53973900  1
  N  N39  1  0.67277900  0.95563500  0.37307200  1
  N  N40  1  0.28285600  0.32722100  0.37307200  1
  N  N41  1  0.04436500  0.71714400  0.37307200  1
  N  N42  1  0.05047700  0.71103200  0.79359400  1
  N  N43  1  0.66055500  0.94952300  0.79359400  1
  N  N44  1  0.28896800  0.33944500  0.79359400  1
  N  N45  1  0.99388800  0.37769900  0.96026100  1
  N  N46  1  0.38381100  0.00611200  0.96026100  1
  N  N47  1  0.62230100  0.61618900  0.96026100  1
  N  N48  1  0.28285600  0.95563500  0.87307200  1
  N  N49  1  0.67277900  0.71714400  0.87307200  1
  N  N50  1  0.04436500  0.32722100  0.87307200  1
  N  N51  1  0.33944500  0.28896800  0.70640600  1
  N  N52  1  0.94952300  0.66055500  0.70640600  1
  N  N53  1  0.71103200  0.05047700  0.70640600  1
  N  N54  1  0.71714400  0.04436500  0.12692800  1
  N  N55  1  0.32722100  0.28285600  0.12692800  1
  N  N56  1  0.95563500  0.67277900  0.12692800  1
  N  N57  1  0.66055500  0.71103200  0.29359400  1
  N  N58  1  0.05047700  0.33944500  0.29359400  1
  N  N59  1  0.28896800  0.94952300  0.29359400  1
  N  N60  1  0.94952300  0.28896800  0.20640600  1
  N  N61  1  0.33944500  0.05047700  0.20640600  1
  N  N62  1  0.71103200  0.66055500  0.20640600  1
  N  N63  1  0.00611200  0.62230100  0.03973900  1
  N  N64  1  0.61618900  0.99388800  0.03973900  1
  N  N65  1  0.37769900  0.38381100  0.03973900  1
