# generated using pymatgen
data_CuN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11796100
_cell_length_b   9.18891200
_cell_length_c   13.60133800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuN6
_chemical_formula_sum   'Cu4 N24'
_cell_volume   389.68743637
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.75000000  0.08084000  0.10440500  1.0
  Cu  Cu1  1  0.25000000  0.91916000  0.89559500  1.0
  Cu  Cu2  1  0.75000000  0.41916000  0.60440500  1.0
  Cu  Cu3  1  0.25000000  0.58084000  0.39559500  1.0
  N  N4  1  0.25000000  0.26047000  0.96937500  1.0
  N  N5  1  0.75000000  0.32991700  0.18775900  1.0
  N  N6  1  0.25000000  0.50343600  0.67869600  1.0
  N  N7  1  0.25000000  0.34769700  0.52223500  1.0
  N  N8  1  0.25000000  0.14029300  0.41690900  1.0
  N  N9  1  0.25000000  0.99656400  0.17869600  1.0
  N  N10  1  0.75000000  0.76047000  0.53062500  1.0
  N  N11  1  0.25000000  0.58956100  0.74685800  1.0
  N  N12  1  0.25000000  0.15230300  0.02223500  1.0
  N  N13  1  0.25000000  0.67008300  0.81224100  1.0
  N  N14  1  0.75000000  0.00343600  0.82130400  1.0
  N  N15  1  0.75000000  0.64029300  0.08309100  1.0
  N  N16  1  0.75000000  0.73953000  0.03062500  1.0
  N  N17  1  0.25000000  0.91043900  0.24685800  1.0
  N  N18  1  0.75000000  0.85970700  0.58309100  1.0
  N  N19  1  0.25000000  0.82991700  0.31224100  1.0
  N  N20  1  0.75000000  0.84769700  0.97776500  1.0
  N  N21  1  0.75000000  0.17008300  0.68775900  1.0
  N  N22  1  0.75000000  0.08956100  0.75314200  1.0
  N  N23  1  0.75000000  0.41043900  0.25314200  1.0
  N  N24  1  0.25000000  0.35970700  0.91690900  1.0
  N  N25  1  0.75000000  0.49656400  0.32130400  1.0
  N  N26  1  0.75000000  0.65230300  0.47776500  1.0
  N  N27  1  0.25000000  0.23953000  0.46937500  1.0