data_SnH4Br3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.03
_cell_length_b   4.51
_cell_length_c   16.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnH4Br3N
_chemical_formula_sum   'Sn4 H16 Br12 N4'
_cell_volume   729.41
_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
  Sn  Sn0  1  0.36  0.13  0.1  1.0
  Sn  Sn1  1  0.67  0.38  0.03  1.0
  Sn  Sn2  1  0.37  0.13  0.1  1.0
  Sn  Sn3  1  0.65  0.38  0.03  1.0
  H  H4  1  0.89  0.55  0.17  1.0
  H  H5  1  0.13  0.29  0.96  1.0
  H  H6  1  0.88  0.22  0.03  1.0
  H  H7  1  0.14  0.96  0.1  1.0
  H  H8  1  0.13  0.96  0.96  1.0
  H  H9  1  0.89  0.22  0.17  1.0
  H  H10  1  0.14  0.29  0.1  1.0
  H  H11  1  0.88  0.55  0.03  1.0
  H  H12  1  0.75  0.13  0.54  1.0
  H  H13  1  0.27  0.38  0.59  1.0
  H  H14  1  0.74  0.13  0.52  1.0
  H  H15  1  0.28  0.38  0.6  1.0
  H  H16  1  0.21  0.13  0.16  1.0
  H  H17  1  0.81  0.38  0.97  1.0
  H  H18  1  0.22  0.13  0.91  1.0
  H  H19  1  0.8  0.38  0.22  1.0
  Br  Br24  1  0.33  0.13  0.78  1.0
  Br  Br25  1  0.7  0.38  0.35  1.0
  Br  Br26  1  0.34  0.13  0.41  1.0
  Br  Br27  1  0.68  0.38  0.71  1.0
  Br  Br28  1  0.58  0.38  0.16  1.0
  Br  Br29  1  0.45  0.13  0.97  1.0
  Br  Br30  1  0.59  0.38  0.03  1.0
  Br  Br31  1  0.44  0.13  0.1  1.0
  Br  Br32  1  0.76  0.13  0.29  1.0
  Br  Br33  1  0.27  0.38  0.84  1.0
  Br  Br34  1  0.77  0.13  0.77  1.0
  Br  Br35  1  0.25  0.38  0.36  1.0
  N  N20  1  0.47  0.38  0.24  1.0
  N  N21  1  0.56  0.13  0.89  1.0
  N  N22  1  0.48  0.38  0.96  1.0
  N  N23  1  0.54  0.13  0.17  1.0

data_SnH4Br3N
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.51
_cell_length_b   10.03
_cell_length_c   16.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SnH4Br3N
_chemical_formula_sum   'Sn4 H16 Br12 N4'
_cell_volume   729.41
_cell_formula_units_Z   4
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
  Sn  Sn0  2  0.37  0.85  0.53  1.0
  Sn  Sn1  2  0.37  0.86  0.53  1.0
  H  H2  2  0.21  0.63  0.54  1.0
  H  H3  2  0.21  0.62  0.4  1.0
  H  H4  2  0.37  0.23  0.96  1.0
  H  H5  2  0.37  0.24  0.98  1.0
  H  H6  2  0.37  0.7  0.59  1.0
  H  H7  2  0.37  0.71  0.34  1.0
  H  H8  2  0.46  0.38  0.6  1.0
  H  H9  2  0.46  0.37  0.46  1.0
  Br  Br10  2  0.37  0.25  0.73  1.0
  Br  Br11  2  0.37  0.26  0.21  1.0
  Br  Br12  2  0.37  0.82  0.21  1.0
  Br  Br13  2  0.37  0.83  0.85  1.0
  Br  Br14  2  0.37  0.92  0.53  1.0
  Br  Br15  2  0.37  0.94  0.4  1.0
  N  N16  2  0.37  0.03  0.61  1.0
  N  N17  2  0.37  0.04  0.33  1.0

Sn Sn Sn Sn H H H H H H H H H H H H H H H H Br Br Br Br Br Br Br Br Br Br Br Br N N N N