data_Ga3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3N
_chemical_formula_sum   'Ga6 N2'
_cell_volume   124.6
_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
  Ga  Ga0  1  0.03  0.22  0.71  1.0
  Ga  Ga1  1  0.11  0.22  0.71  1.0
  Ga  Ga2  1  0.57  0.75  0.71  1.0
  Ga  Ga3  1  0.54  0.97  0.12  1.0
  Ga  Ga4  1  0.46  0.97  0.12  1.0
  Ga  Ga5  1  0.0  0.43  0.12  1.0
  N  N6  1  0.57  0.06  0.12  1.0
  N  N7  1  0.0  0.12  0.71  1.0

data_Ga3N
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.82
_cell_length_b   7.14
_cell_length_c   7.14
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ga3N
_chemical_formula_sum   'Ga6 N2'
_cell_volume   124.6
_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
  Ga  Ga0  2  0.29  0.29  0.66  1.0
  Ga  Ga1  2  0.29  0.75  0.13  1.0
  Ga  Ga2  2  0.29  0.82  0.13  1.0
  N  N3  2  0.29  0.71  0.03  1.0

Ga Ga Ga Ga Ga Ga N N
Ga Ga Ga Ga Ga Ga N N 0 7 o o o 0 1 o o o 0 5 o o + 0 5 o o o 1 5 o o + 1 5 o o o 2 4 o o o 2 4 o o + 2 3 o o o 2 3 o o + 2 6 o + + 3 6 o + o 3 4 o o o 5 7 o o - 