# generated using pymatgen
data_Co2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.85088058
_cell_length_b   2.97287454
_cell_length_c   5.02478532
_cell_angle_alpha   90.00000000
_cell_angle_beta   100.39732836
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2(CN2)3
_chemical_formula_sum   'Co4 C6 N12'
_cell_volume   232.89337081
_cell_formula_units_Z   2
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  0.82893300  0.00000000  0.64696200  1
  Co  Co1  1  0.67106700  0.50000000  0.35303800  1
  Co  Co2  1  0.32893300  0.50000000  0.64696200  1
  Co  Co3  1  0.17106700  0.00000000  0.35303800  1
  C  C4  1  0.67569200  0.00000000  0.84808800  1
  C  C5  1  0.82430800  0.50000000  0.15191200  1
  C  C6  1  0.00000000  0.00000000  0.50000000  1
  C  C7  1  0.17569200  0.50000000  0.84808800  1
  C  C8  1  0.32430800  0.00000000  0.15191200  1
  C  C9  1  0.50000000  0.50000000  0.50000000  1
  N  N10  1  0.83779400  0.50000000  0.92293200  1
  N  N11  1  0.66220600  0.00000000  0.07706800  1
  N  N12  1  0.80070600  0.50000000  0.38050900  1
  N  N13  1  0.69929400  0.00000000  0.61949100  1
  N  N14  1  0.94557000  0.00000000  0.64606400  1
  N  N15  1  0.55443000  0.50000000  0.35393600  1
  N  N16  1  0.33779400  0.00000000  0.92293200  1
  N  N17  1  0.16220600  0.50000000  0.07706800  1
  N  N18  1  0.30070600  0.00000000  0.38050900  1
  N  N19  1  0.19929400  0.50000000  0.61949100  1
  N  N20  1  0.44557000  0.50000000  0.64606400  1
  N  N21  1  0.05443000  0.00000000  0.35393600  1
