# generated using pymatgen
data_Fe2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22746486
_cell_length_b   5.22746486
_cell_length_c   14.33393022
_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   'Fe6 C9 N18'
_cell_volume   339.21743179
_cell_formula_units_Z   3
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  0.00000000  0.00000000  0.17185700  1
  Fe  Fe1  1  0.66666700  0.33333300  0.16147600  1
  Fe  Fe2  1  0.66666700  0.33333300  0.50519000  1
  Fe  Fe3  1  0.33333300  0.66666700  0.49481000  1
  Fe  Fe4  1  0.33333300  0.66666700  0.83852400  1
  Fe  Fe5  1  0.00000000  0.00000000  0.82814300  1
  C  C6  1  0.31003400  0.31003400  0.00000000  1
  C  C7  1  0.00000000  0.68996600  0.00000000  1
  C  C8  1  0.35663300  0.33333300  0.33333300  1
  C  C9  1  0.97670100  0.64336700  0.33333300  1
  C  C10  1  0.66666700  0.02329900  0.33333300  1
  C  C11  1  0.02329900  0.66666700  0.66666700  1
  C  C12  1  0.64336700  0.97670100  0.66666700  1
  C  C13  1  0.33333300  0.35663300  0.66666700  1
  C  C14  1  0.68996600  0.00000000  0.00000000  1
  N  N15  1  0.73597000  0.07199400  0.08317300  1
  N  N16  1  0.33602500  0.26403000  0.08317300  1
  N  N17  1  0.92800600  0.66397500  0.08317300  1
  N  N18  1  0.33064200  0.26133900  0.25016000  1
  N  N19  1  0.73866100  0.06930300  0.25016000  1
  N  N20  1  0.93069700  0.66935800  0.25016000  1
  N  N21  1  0.40263600  0.40532800  0.41650700  1
  N  N22  1  0.00269100  0.59736400  0.41650700  1
  N  N23  1  0.59467200  0.99730900  0.41650700  1
  N  N24  1  0.99730900  0.59467200  0.58349300  1
  N  N25  1  0.40532800  0.40263600  0.58349300  1
  N  N26  1  0.59736400  0.00269100  0.58349300  1
  N  N27  1  0.06930300  0.73866100  0.74984000  1
  N  N28  1  0.66935800  0.93069700  0.74984000  1
  N  N29  1  0.26133900  0.33064200  0.74984000  1
  N  N30  1  0.66397500  0.92800600  0.91682700  1
  N  N31  1  0.07199400  0.73597000  0.91682700  1
  N  N32  1  0.26403000  0.33602500  0.91682700  1
