# generated using pymatgen
data_Cu3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70471200
_cell_length_b   3.70471200
_cell_length_c   7.36091900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3N
_chemical_formula_sum   'Cu6 N2'
_cell_volume   101.02781096
_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  0.00000000  0.00000000  0.76204900  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.23795100  1.0
  Cu  Cu2  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu3  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.50000000  0.50000000  0.82881700  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.17118300  1.0
  N  N6  1  0.00000000  0.00000000  0.00000000  1.0
  N  N7  1  0.00000000  0.00000000  0.50000000  1.0