# generated using pymatgen
data_Co2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27748858
_cell_length_b   5.27748858
_cell_length_c   27.40228824
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2(CN2)3
_chemical_formula_sum   'Co12 C18 N36'
_cell_volume   660.95526497
_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
  Co  Co0  1  0.00000000  0.00000000  0.16487400  1
  Co  Co1  1  0.33333300  0.66666700  0.33154100  1
  Co  Co2  1  0.66666700  0.33333300  0.16845900  1
  Co  Co3  1  0.33333300  0.66666700  0.00179300  1
  Co  Co4  1  0.66666700  0.33333300  0.49820700  1
  Co  Co5  1  0.00000000  0.00000000  0.66487400  1
  Co  Co6  1  0.33333300  0.66666700  0.50179300  1
  Co  Co7  1  0.00000000  0.00000000  0.33512600  1
  Co  Co8  1  0.33333300  0.66666700  0.83154100  1
  Co  Co9  1  0.66666700  0.33333300  0.99820700  1
  Co  Co10  1  0.00000000  0.00000000  0.83512600  1
  Co  Co11  1  0.66666700  0.33333300  0.66845900  1
  C  C12  1  0.66666700  0.01186800  0.08333300  1
  C  C13  1  0.34520100  0.33333300  0.08333300  1
  C  C14  1  0.98813200  0.65479900  0.08333300  1
  C  C15  1  0.67853500  0.67853500  0.25000000  1
  C  C16  1  0.00000000  0.32146500  0.25000000  1
  C  C17  1  0.32146500  0.00000000  0.25000000  1
  C  C18  1  0.33333300  0.34520100  0.41666700  1
  C  C19  1  0.01186800  0.66666700  0.41666700  1
  C  C20  1  0.65479900  0.98813200  0.41666700  1
  C  C21  1  0.34520100  0.01186800  0.58333300  1
  C  C22  1  0.66666700  0.65479900  0.58333300  1
  C  C23  1  0.98813200  0.33333300  0.58333300  1
  C  C24  1  0.00000000  0.67853500  0.75000000  1
  C  C25  1  0.67853500  0.00000000  0.75000000  1
  C  C26  1  0.32146500  0.32146500  0.75000000  1
  C  C27  1  0.01186800  0.34520100  0.91666700  1
  C  C28  1  0.33333300  0.98813200  0.91666700  1
  C  C29  1  0.65479900  0.66666700  0.91666700  1
  N  N30  1  0.71313100  0.04276800  0.12772300  1
  N  N31  1  0.32963700  0.28686900  0.12772300  1
  N  N32  1  0.95723200  0.67036300  0.12772300  1
  N  N33  1  0.66297000  0.70943400  0.29439000  1
  N  N34  1  0.04646400  0.33703000  0.29439000  1
  N  N35  1  0.29056600  0.95353600  0.29439000  1
  N  N36  1  0.95353600  0.29056600  0.20561000  1
  N  N37  1  0.33703000  0.04646400  0.20561000  1
  N  N38  1  0.70943400  0.66297000  0.20561000  1
  N  N39  1  0.00369700  0.62389900  0.03894400  1
  N  N40  1  0.62020200  0.99630300  0.03894400  1
  N  N41  1  0.37610100  0.37979800  0.03894400  1
  N  N42  1  0.37979800  0.37610100  0.46105600  1
  N  N43  1  0.99630300  0.62020200  0.46105600  1
  N  N44  1  0.62389900  0.00369700  0.46105600  1
  N  N45  1  0.32963700  0.04276800  0.62772300  1
  N  N46  1  0.71313100  0.67036300  0.62772300  1
  N  N47  1  0.95723200  0.28686900  0.62772300  1
  N  N48  1  0.62020200  0.62389900  0.53894400  1
  N  N49  1  0.00369700  0.37979800  0.53894400  1
  N  N50  1  0.37610100  0.99630300  0.53894400  1
  N  N51  1  0.67036300  0.95723200  0.37227700  1
  N  N52  1  0.28686900  0.32963700  0.37227700  1
  N  N53  1  0.04276800  0.71313100  0.37227700  1
  N  N54  1  0.04646400  0.70943400  0.79439000  1
  N  N55  1  0.66297000  0.95353600  0.79439000  1
  N  N56  1  0.29056600  0.33703000  0.79439000  1
  N  N57  1  0.99630300  0.37610100  0.96105600  1
  N  N58  1  0.37979800  0.00369700  0.96105600  1
  N  N59  1  0.62389900  0.62020200  0.96105600  1
  N  N60  1  0.28686900  0.95723200  0.87227700  1
  N  N61  1  0.67036300  0.71313100  0.87227700  1
  N  N62  1  0.04276800  0.32963700  0.87227700  1
  N  N63  1  0.33703000  0.29056600  0.70561000  1
  N  N64  1  0.95353600  0.66297000  0.70561000  1
  N  N65  1  0.70943400  0.04646400  0.70561000  1
