data_SnBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   151.38
_cell_angle_beta   134.87
_cell_angle_gamma   54.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBrCl2
_chemical_formula_sum   'Sn1 Br1 Cl2'
_cell_volume   121.25
_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
  Sn  Sn3  1  0.0  0.0  0.32  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.76  0.0  0.31  1.0
  Cl  Cl2  1  0.0  0.73  0.02  1.0

data_SnBrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.45
_cell_length_c   7.11
_cell_angle_alpha   112.56
_cell_angle_beta   104.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBrCl2
_chemical_formula_sum   'Sn1 Br1 Cl2'
_cell_volume   121.25
_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
  Sn  Sn0  1  0.68  0.68  0.68  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.45  0.69  0.45  1.0
  Cl  Cl3  1  0.98  0.71  0.71  1.0

Sn Br Cl Cl
Sn Br Cl Cl 0 3 o - o 0 1 o o o 0 2 - o o 1 3 o - o 