data_SnBi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   5.68
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBi2Cl
_chemical_formula_sum   'Sn1 Bi2 Cl1'
_cell_volume   115.81
_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  0.76  0.84  0.0  1.0
  Bi  Bi0  1  0.76  0.0  0.89  1.0
  Bi  Bi1  1  0.0  0.84  0.89  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_SnBi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.68
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBi2Cl
_chemical_formula_sum   'Sn1 Bi2 Cl1'
_cell_volume   115.81
_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  0.76  0.84  -0.0  1.0
  Bi  Bi1  1  -0.0  0.84  0.89  1.0
  Bi  Bi2  1  0.76  0.0  0.89  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sn Bi Bi Cl
Sn Bi Bi Cl 0 1 o + - 0 2 + o - 0 3 + + o 1 2 + - o 1 3 + o + 2 3 o + + 