# generated using pymatgen
data_Co2CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20782633
_cell_length_b   3.20782633
_cell_length_c   18.03139250
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2CuN2
_chemical_formula_sum   'Co6 Cu3 N6'
_cell_volume   160.68731511
_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  0.04575400  1
  Co  Co1  1  0.00000000  0.00000000  0.28757900  1
  Co  Co2  1  0.33333300  0.66666700  0.37908700  1
  Co  Co3  1  0.66666700  0.33333300  0.62091300  1
  Co  Co4  1  0.00000000  0.00000000  0.71242100  1
  Co  Co5  1  0.33333300  0.66666700  0.95424600  1
  Cu  Cu6  1  0.33333300  0.66666700  0.16666700  1
  Cu  Cu7  1  0.00000000  0.00000000  0.50000000  1
  Cu  Cu8  1  0.66666700  0.33333300  0.83333300  1
  N  N9  1  0.33333300  0.66666700  0.26999900  1
  N  N10  1  0.33333300  0.66666700  0.06333500  1
  N  N11  1  0.00000000  0.00000000  0.60333200  1
  N  N12  1  0.00000000  0.00000000  0.39666800  1
  N  N13  1  0.66666700  0.33333300  0.93666500  1
  N  N14  1  0.66666700  0.33333300  0.73000100  1
