# generated using pymatgen
data_CoCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.80397662
_cell_length_b   2.80397662
_cell_length_c   10.82111336
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCN
_chemical_formula_sum   'Co3 C3 N3'
_cell_volume   73.68029475
_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
  Co  Co0  1  0.66666700  0.33333300  0.33082800  1
  Co  Co1  1  0.33333300  0.66666700  0.66416100  1
  Co  Co2  1  0.00000000  0.00000000  0.99749500  1
  C  C3  1  0.00000000  0.00000000  0.55512200  1
  C  C4  1  0.66666700  0.33333300  0.88845500  1
  C  C5  1  0.33333300  0.66666700  0.22178900  1
  N  N6  1  0.00000000  0.00000000  0.43816600  1
  N  N7  1  0.66666700  0.33333300  0.77149900  1
  N  N8  1  0.33333300  0.66666700  0.10483200  1
