data_Si2Sn5N6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   15.61
_cell_angle_alpha   96.57
_cell_angle_beta   96.57
_cell_angle_gamma   88.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Sn5N6
_chemical_formula_sum   'Si4 Sn10 N12'
_cell_volume   484.69
_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
  Si  Si0  1  0.48  0.58  0.78  1.0
  Si  Si1  1  0.83  0.58  0.34  1.0
  Si  Si2  1  0.08  0.42  0.64  1.0
  Si  Si3  1  0.72  0.42  0.07  1.0
  Sn  Sn4  1  0.15  0.59  0.56  1.0
  Sn  Sn5  1  0.4  0.41  0.85  1.0
  Sn  Sn6  1  0.94  0.7  0.69  1.0
  Sn  Sn7  1  0.37  0.7  0.43  1.0
  Sn  Sn8  1  0.61  0.3  0.72  1.0
  Sn  Sn9  1  0.19  0.3  0.98  1.0
  Sn  Sn10  1  0.11  0.86  0.0  1.0
  Sn  Sn11  1  0.19  0.86  0.12  1.0
  Sn  Sn12  1  0.44  0.14  0.41  1.0
  Sn  Sn13  1  0.36  0.14  0.3  1.0
  N  N14  1  0.63  0.19  0.03  1.0
  N  N15  1  0.68  0.19  0.09  1.0
  N  N16  1  0.92  0.81  0.38  1.0
  N  N17  1  0.87  0.81  0.33  1.0
  N  N18  1  0.24  0.85  0.11  1.0
  N  N19  1  0.06  0.85  0.01  1.0
  N  N20  1  0.31  0.15  0.3  1.0
  N  N21  1  0.49  0.15  0.4  1.0
  N  N22  1  0.01  0.34  0.02  1.0
  N  N23  1  0.3  0.34  0.1  1.0
  N  N24  1  0.54  0.66  0.4  1.0
  N  N25  1  0.25  0.66  0.31  1.0

data_Si2Sn5N6
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   15.61
_cell_angle_alpha   83.43
_cell_angle_beta   83.43
_cell_angle_gamma   88.39
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Si2Sn5N6
_chemical_formula_sum   'Si4 Sn10 N12'
_cell_volume   484.69
_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
  Si  Si0  2  0.06  0.58  0.86  1.0
  Si  Si1  2  0.3  0.42  0.57  1.0
  Sn  Sn2  2  0.16  0.7  0.52  1.0
  Sn  Sn3  2  0.34  0.86  0.2  1.0
  Sn  Sn4  2  0.38  0.59  0.65  1.0
  Sn  Sn5  2  0.41  0.3  0.22  1.0
  Sn  Sn6  2  0.42  0.86  0.09  1.0
  N  N7  2  0.1  0.81  0.88  1.0
  N  N8  2  0.15  0.81  0.83  1.0
  N  N9  2  0.23  0.34  0.19  1.0
  N  N10  2  0.29  0.85  0.2  1.0
  N  N11  2  0.47  0.85  0.1  1.0
  N  N12  2  0.48  0.66  0.9  1.0

Si Si Si Si Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn N N N N N N N N N N N N