data_Zn4SnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.99
_cell_length_c   8.7
_cell_angle_alpha   89.75
_cell_angle_beta   73.75
_cell_angle_gamma   88.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4SnN4
_chemical_formula_sum   'Zn8 Sn2 N8'
_cell_volume   293.43
_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
  Zn  Zn0  1  0.64  0.93  0.07  1.0
  Zn  Zn1  1  0.77  0.06  0.28  1.0
  Zn  Zn2  1  0.58  0.21  0.91  1.0
  Zn  Zn3  1  0.83  0.78  0.44  1.0
  Zn  Zn4  1  0.17  0.92  0.78  1.0
  Zn  Zn5  1  0.23  0.07  0.56  1.0
  Zn  Zn6  1  0.81  0.82  0.14  1.0
  Zn  Zn7  1  0.59  0.17  0.21  1.0
  Sn  Sn8  1  0.85  0.69  0.96  1.0
  Sn  Sn9  1  0.55  0.29  0.39  1.0
  N  N10  1  0.83  0.83  0.38  1.0
  N  N11  1  0.58  0.16  0.97  1.0
  N  N12  1  0.14  0.79  0.22  1.0
  N  N13  1  0.27  0.19  0.13  1.0
  N  N14  1  0.74  0.94  0.55  1.0
  N  N15  1  0.67  0.04  0.8  1.0
  N  N16  1  0.77  0.03  0.6  1.0
  N  N17  1  0.64  0.96  0.75  1.0

data_Zn4SnN4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.87
_cell_length_b   5.99
_cell_length_c   8.7
_cell_angle_alpha   89.75
_cell_angle_beta   73.75
_cell_angle_gamma   88.98
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zn4SnN4
_chemical_formula_sum   'Zn8 Sn2 N8'
_cell_volume   293.43
_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
  Zn  Zn0  2  0.03  0.58  0.39  1.0
  Zn  Zn1  2  0.37  0.71  0.74  1.0
  Zn  Zn2  2  0.39  0.68  0.04  1.0
  Zn  Zn3  2  0.43  0.43  0.89  1.0
  Sn  Sn4  2  0.35  0.8  0.22  1.0
  N  N5  2  0.07  0.7  0.95  1.0
  N  N6  2  0.37  0.67  0.79  1.0
  N  N7  2  0.43  0.47  0.58  1.0
  N  N8  2  0.47  0.55  0.63  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Sn Sn N N N N N N N N
Zn Zn Zn Zn Zn Zn Zn Zn Sn Sn N N N N N N N N 0 11 o + - 0 6 o o o 0 8 o o - 1 7 o o o 1 10 o - o 1 9 o o o 2 11 o o o 2 13 o o + 3 10 o o o 3 12 + o o 4 8 - o o 4 5 o + o 5 9 o o o 6 8 o o - 6 12 + o o 7 9 o o o 7 13 o o o 10 12 + o o 11 13 o o + 14 16 o + o 15 17 o - o 