data_SnB2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   4.25
_cell_angle_alpha   91.44
_cell_angle_beta   91.44
_cell_angle_gamma   41.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnB2Cl
_chemical_formula_sum   'Sn1 B2 Cl1'
_cell_volume   80.92
_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  0.93  0.0  0.12  1.0
  B  B0  1  0.78  0.0  0.51  1.0
  B  B1  1  0.18  0.0  0.01  1.0
  Cl  Cl2  1  0.92  0.0  0.74  1.0

data_SnB2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.25
_cell_length_c   5.35
_cell_angle_alpha   91.44
_cell_angle_beta   110.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnB2Cl
_chemical_formula_sum   'Sn1 B2 Cl1'
_cell_volume   80.92
_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  0.0  0.12  0.93  1.0
  B  B1  1  0.0  0.01  0.18  1.0
  B  B2  1  0.0  0.51  0.78  1.0
  Cl  Cl3  1  0.0  0.74  0.92  1.0

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