# generated using pymatgen
data_CuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44868564
_cell_length_b   3.44868564
_cell_length_c   5.18435100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00056389
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuN
_chemical_formula_sum   'Cu2 N2'
_cell_volume   61.65972930
_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
  Cu  Cu0  1  0.50333300  0.49387800  0.75000000  1.0
  Cu  Cu1  1  0.49387800  0.50333300  0.25000000  1.0
  N  N2  1  0.48918900  0.00336600  0.25000000  1.0
  N  N3  1  0.00336600  0.48918900  0.75000000  1.0