data_SnH4Br3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   11.23
_cell_angle_alpha   90.83
_cell_angle_beta   90.83
_cell_angle_gamma   33.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnH4Br3N
_chemical_formula_sum   'Sn2 H8 Br6 N2'
_cell_volume   364.26
_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
  Sn  Sn0  1  0.55  0.0  0.88  1.0
  Sn  Sn1  1  0.47  0.0  0.37  1.0
  H  H10  1  0.23  0.0  0.21  1.0
  H  H11  1  0.27  0.83  0.17  1.0
  H  H12  1  0.27  0.17  0.17  1.0
  H  H13  1  0.85  0.0  0.58  1.0
  H  H14  1  0.61  0.0  0.6  1.0
  H  H15  1  0.45  0.83  0.84  1.0
  H  H16  1  0.45  0.17  0.84  1.0
  H  H17  1  0.03  0.0  0.19  1.0
  Br  Br2  1  0.32  0.0  0.43  1.0
  Br  Br3  1  0.11  0.0  0.94  1.0
  Br  Br4  1  0.17  0.0  0.74  1.0
  Br  Br5  1  0.27  0.0  0.33  1.0
  Br  Br6  1  0.52  0.0  0.08  1.0
  Br  Br7  1  0.89  0.0  0.71  1.0
  N  N8  1  0.51  0.0  0.2  1.0
  N  N9  1  0.88  0.0  0.6  1.0

data_SnH4Br3N
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   7.64
_cell_length_c   11.23
_cell_angle_alpha   90.83
_cell_angle_beta   90.0
_cell_angle_gamma   106.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnH4Br3N
_chemical_formula_sum   'Sn2 H8 Br6 N2'
_cell_volume   364.26
_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
  Sn  Sn0  1  0.0  0.45  0.12  1.0
  Sn  Sn1  1  0.0  0.53  0.63  1.0
  H  H2  1  0.0  0.15  0.42  1.0
  H  H3  1  0.0  0.39  0.4  1.0
  H  H4  1  0.0  0.77  0.79  1.0
  H  H5  1  0.0  0.97  0.81  1.0
  H  H6  1  0.17  0.89  0.83  1.0
  H  H7  1  0.17  0.72  0.16  1.0
  H  H8  1  0.83  0.39  0.16  1.0
  H  H9  1  0.83  0.56  0.83  1.0
  Br  Br10  1  0.0  0.11  0.29  1.0
  Br  Br11  1  0.0  0.48  0.92  1.0
  Br  Br12  1  0.0  0.68  0.57  1.0
  Br  Br13  1  0.0  0.73  0.67  1.0
  Br  Br14  1  0.0  0.83  0.26  1.0
  Br  Br15  1  0.0  0.89  0.06  1.0
  N  N16  1  0.0  0.12  0.4  1.0
  N  N17  1  0.0  0.49  0.8  1.0

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