data_Cd3(GaN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   10.88
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3(GaN2)2
_chemical_formula_sum   'Cd12 Ga8 N16'
_cell_volume   553.78
_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
  Cd  Cd0  1  0.15  0.67  0.36  1.0
  Cd  Cd1  1  0.49  0.2  0.36  1.0
  Cd  Cd2  1  0.15  0.76  0.06  1.0
  Cd  Cd3  1  0.49  0.11  0.06  1.0
  Cd  Cd4  1  0.61  0.2  0.49  1.0
  Cd  Cd5  1  0.27  0.67  0.49  1.0
  Cd  Cd6  1  0.61  0.11  0.78  1.0
  Cd  Cd7  1  0.27  0.76  0.78  1.0
  Cd  Cd8  1  0.32  0.44  0.98  1.0
  Cd  Cd9  1  0.32  0.0  0.45  1.0
  Cd  Cd10  1  0.44  0.44  0.87  1.0
  Cd  Cd11  1  0.44  0.0  0.4  1.0
  Ga  Ga12  1  0.32  0.44  0.01  1.0
  Ga  Ga13  1  0.32  0.0  0.26  1.0
  Ga  Ga14  1  0.44  0.44  0.83  1.0
  Ga  Ga15  1  0.44  0.0  0.59  1.0
  Ga  Ga16  1  0.42  0.72  0.63  1.0
  Ga  Ga17  1  0.21  0.16  0.63  1.0
  Ga  Ga18  1  0.33  0.16  0.21  1.0
  Ga  Ga19  1  0.55  0.72  0.21  1.0
  N  N20  1  0.58  0.27  0.96  1.0
  N  N21  1  0.05  0.61  0.96  1.0
  N  N22  1  0.58  0.17  0.31  1.0
  N  N23  1  0.05  0.71  0.31  1.0
  N  N24  1  0.18  0.61  0.89  1.0
  N  N25  1  0.7  0.27  0.89  1.0
  N  N26  1  0.18  0.71  0.53  1.0
  N  N27  1  0.7  0.17  0.53  1.0
  N  N28  1  0.45  0.9  0.82  1.0
  N  N29  1  0.18  0.98  0.82  1.0
  N  N30  1  0.45  0.54  0.45  1.0
  N  N31  1  0.18  0.33  0.45  1.0
  N  N32  1  0.3  0.98  0.03  1.0
  N  N33  1  0.58  0.9  0.03  1.0
  N  N34  1  0.3  0.33  0.4  1.0
  N  N35  1  0.58  0.54  0.4  1.0

data_Cd3(GaN2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.76
_cell_length_b   8.85
_cell_length_c   10.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3(GaN2)2
_chemical_formula_sum   'Cd12 Ga8 N16'
_cell_volume   553.78
_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
  Cd  Cd0  1  0.39  0.22  0.89  1.0
  Cd  Cd1  1  0.39  0.51  0.8  1.0
  Cd  Cd2  1  0.51  0.64  0.8  1.0
  Cd  Cd3  1  0.51  0.94  0.89  1.0
  Cd  Cd4  1  0.56  0.13  0.56  1.0
  Cd  Cd5  1  0.56  0.6  0.0  1.0
  Cd  Cd6  1  0.68  0.02  0.56  1.0
  Cd  Cd7  1  0.68  0.55  0.0  1.0
  Cd  Cd8  1  0.73  0.22  0.24  1.0
  Cd  Cd9  1  0.73  0.51  0.33  1.0
  Cd  Cd10  1  0.85  0.64  0.33  1.0
  Cd  Cd11  1  0.85  0.94  0.24  1.0
  Ga  Ga12  1  0.45  0.79  0.28  1.0
  Ga  Ga13  1  0.56  0.17  0.56  1.0
  Ga  Ga14  1  0.56  0.41  0.0  1.0
  Ga  Ga15  1  0.58  0.37  0.28  1.0
  Ga  Ga16  1  0.67  0.79  0.84  1.0
  Ga  Ga17  1  0.68  0.74  0.0  1.0
  Ga  Ga18  1  0.68  0.99  0.56  1.0
  Ga  Ga19  1  0.79  0.37  0.84  1.0
  N  N20  1  0.3  0.11  0.73  1.0
  N  N21  1  0.3  0.47  0.83  1.0
  N  N22  1  0.42  0.04  0.73  1.0
  N  N23  1  0.42  0.69  0.83  1.0
  N  N24  1  0.42  0.6  0.46  1.0
  N  N25  1  0.42  0.97  0.1  1.0
  N  N26  1  0.55  0.18  0.1  1.0
  N  N27  1  0.55  0.55  0.46  1.0
  N  N28  1  0.7  0.6  0.67  1.0
  N  N29  1  0.7  0.97  0.02  1.0
  N  N30  1  0.82  0.18  0.02  1.0
  N  N31  1  0.82  0.55  0.67  1.0
  N  N32  1  0.82  0.11  0.39  1.0
  N  N33  1  0.82  0.47  0.29  1.0
  N  N34  1  0.95  0.04  0.39  1.0
  N  N35  1  0.95  0.69  0.29  1.0

Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Ga Ga Ga Ga Ga Ga Ga Ga N N N N N N N N N N N N N N N N
Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Ga Ga Ga Ga Ga Ga Ga Ga N N N N N N N N N N N N N N N N 0 23 o o o 0 19 o o o 1 22 o o o 1 17 o o o 1 18 o o o 2 21 o o - 2 23 o o o 2 24 o o - 2 32 o o o 2 7 o o - 2 19 o o o 3 32 o - o 3 18 o o o 3 20 o o - 3 6 o o - 4 27 o o o 4 17 o o o 5 26 o o o 5 16 o o o 5 19 o o o 6 15 o o o 6 28 o - o 6 20 o o o 6 27 o o o 6 25 o o o 6 17 o o o 7 24 o o o 7 16 o o o 7 28 o o o 8 12 o o + 9 11 o o o 9 13 o o o 9 15 o o o 9 17 o o o 10 14 o o o 11 13 o o o 11 15 o o o 13 18 o o o 13 32 o - o 15 17 o o o 16 26 o o o 17 29 o - o 17 31 o o o 17 34 o o o 18 22 o o o 19 30 o o o 19 23 o o o 19 23 + o o 19 35 o o o 19 33 o o o 20 25 o o o 21 24 o o o 28 29 o o o 28 33 o o + 29 32 o o + 30 35 o o o 31 34 o o o 32 33 o o o 