data_Cu2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   57.51
_cell_angle_beta   57.51
_cell_angle_gamma   57.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2N3
_chemical_formula_sum   'Cu4 N6'
_cell_volume   93.31
_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  0.0  0.0  0.57  1.0
  Cu  Cu1  1  0.0  0.0  0.9  1.0
  Cu  Cu2  1  0.0  0.0  0.05  1.0
  Cu  Cu3  1  0.0  0.0  0.38  1.0
  N  N4  1  1.0  0.56  0.4  1.0
  N  N5  1  0.25  0.86  0.4  1.0
  N  N6  1  0.75  0.58  0.4  1.0
  N  N7  1  0.25  0.42  0.56  1.0
  N  N8  1  0.75  0.14  0.56  1.0
  N  N9  1  0.0  0.44  0.56  1.0

data_Cu2N3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.19
_cell_angle_alpha   61.24
_cell_angle_beta   61.24
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cu2N3
_chemical_formula_sum   'Cu4 N6'
_cell_volume   93.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.07  0.43  1.0
  Cu  Cu1  2  0.0  0.4  0.1  1.0
  N  N2  2  0.14  0.58  0.03  1.0
  N  N3  2  0.42  0.58  0.26  1.0
  N  N4  2  0.44  0.58  0.47  1.0

Cu Cu Cu Cu N N N N N N
Cu Cu Cu Cu N N N N N N 0 8 - o o 0 5 o - o 0 3 o o o 1 2 o o + 3 8 - o o 3 5 o - o 4 9 + o o 4 6 o o o 7 9 o o o 