data_Zn4P6N12Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   7.17
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4P6N12Cl
_chemical_formula_sum   'Zn4 P6 N12 Cl1'
_cell_volume   284.05
_cell_formula_units_Z   1
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
  Zn  Zn19  1  0.54  0.46  0.46  1.0
  Zn  Zn20  1  0.46  0.54  0.46  1.0
  Zn  Zn21  1  0.46  0.46  0.54  1.0
  Zn  Zn22  1  0.68  0.68  0.68  1.0
  P  P13  1  0.0  0.07  0.14  1.0
  P  P14  1  0.07  0.0  0.14  1.0
  P  P15  1  0.0  0.14  0.07  1.0
  P  P16  1  0.14  0.0  0.07  1.0
  P  P17  1  0.07  0.14  0.0  1.0
  P  P18  1  0.14  0.07  0.0  1.0
  N  N1  1  0.83  0.17  0.43  1.0
  N  N2  1  0.17  0.83  0.43  1.0
  N  N3  1  0.83  0.43  0.17  1.0
  N  N4  1  0.43  0.83  0.17  1.0
  N  N5  1  0.17  0.17  0.85  1.0
  N  N6  1  0.71  0.97  0.97  1.0
  N  N7  1  0.97  0.71  0.97  1.0
  N  N8  1  0.17  0.43  0.83  1.0
  N  N9  1  0.43  0.17  0.83  1.0
  N  N10  1  0.97  0.97  0.71  1.0
  N  N11  1  0.17  0.85  0.17  1.0
  N  N12  1  0.85  0.17  0.17  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Zn4P6N12Cl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   11.71
_cell_length_b   11.71
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn4P6N12Cl
_chemical_formula_sum   'Zn12 P18 N36 Cl3'
_cell_volume   852.14
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Zn  Zn0  9  0.05  0.03  0.49  1.0
  Zn  Zn1  3  0.0  0.0  0.68  1.0
  P  P2  18  0.0  0.07  0.07  1.0
  N  N3  18  0.02  0.38  0.81  1.0
  N  N4  9  0.09  0.18  0.89  1.0
  N  N5  9  0.11  0.21  0.06  1.0
  Cl  Cl6  3  0.0  0.0  0.0  1.0

Zn Zn Zn Zn P P P P P P N N N N N N N N N N N N Cl