data_Li2SnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36
_cell_length_b   8.36
_cell_length_c   8.36
_cell_angle_alpha   21.37
_cell_angle_beta   21.37
_cell_angle_gamma   21.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SnB
_chemical_formula_sum   'Li2 Sn1 B1'
_cell_volume   67.91
_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
  Li  Li1  1  0.0  0.0  0.88  1.0
  Li  Li2  1  0.0  0.0  0.61  1.0
  Sn  Sn3  1  0.0  0.0  0.25  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Li2SnB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   3.1
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   102.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2SnB
_chemical_formula_sum   'Li4 Sn2 B2'
_cell_volume   135.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  2  0.0  0.0  0.12  1.0
  Li  Li1  2  0.0  0.0  0.39  1.0
  Sn  Sn2  2  0.0  0.0  0.75  1.0
  B  B3  2  0.0  0.0  0.0  1.0

Li Li Sn B
Li Li Sn B 0 3 o o + 0 1 o o o 2 3 o o o 