# generated using pymatgen
data_Co2CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76289342
_cell_length_b   11.88860938
_cell_length_c   2.81589573
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2CuN2
_chemical_formula_sum   'Co4 Cu2 N4'
_cell_volume   92.49361618
_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  0.50000000  0.28114000  0.83671800  1
  Co  Co1  1  0.50000000  0.28114000  0.16328200  1
  Co  Co2  1  0.00000000  0.71886000  0.66328200  1
  Co  Co3  1  0.00000000  0.71886000  0.33671800  1
  Cu  Cu4  1  0.50000000  0.24009600  0.50000000  1
  Cu  Cu5  1  0.00000000  0.75990400  0.00000000  1
  N  N6  1  0.50000000  0.26791700  0.33713100  1
  N  N7  1  0.50000000  0.26791700  0.66286900  1
  N  N8  1  0.00000000  0.73208300  0.16286900  1
  N  N9  1  0.00000000  0.73208300  0.83713100  1
