# generated using pymatgen
data_CuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19883424
_cell_length_b   7.19883424
_cell_length_c   7.19883424
_cell_angle_alpha   99.33969715
_cell_angle_beta   99.33969715
_cell_angle_gamma   132.48715929
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuN3
_chemical_formula_sum   'Cu4 N12'
_cell_volume   251.79903664
_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  0.12500000  0.87500000  0.75000000  1.0
  Cu  Cu1  1  0.12500000  0.87500000  0.25000000  1.0
  Cu  Cu2  1  0.62500000  0.87500000  0.75000000  1.0
  Cu  Cu3  1  0.12500000  0.37500000  0.25000000  1.0
  N  N4  1  0.81625500  0.61021400  0.79395900  1.0
  N  N5  1  0.86021400  0.56625500  0.29395900  1.0
  N  N6  1  0.27229500  0.56625500  0.70604100  1.0
  N  N7  1  0.81625500  0.02229500  0.20604100  1.0
  N  N8  1  0.62500000  0.87500000  0.25000000  1.0
  N  N9  1  0.12500000  0.37500000  0.75000000  1.0
  N  N10  1  0.62500000  0.37500000  0.25000000  1.0
  N  N11  1  0.62500000  0.37500000  0.75000000  1.0
  N  N12  1  0.43374500  0.72770500  0.29395900  1.0
  N  N13  1  0.97770500  0.18374500  0.79395900  1.0
  N  N14  1  0.38978600  0.18374500  0.20604100  1.0
  N  N15  1  0.43374500  0.13978600  0.70604100  1.0