data_Li2SnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   145.22
_cell_angle_beta   113.5
_cell_angle_gamma   77.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SnBr
_chemical_formula_sum   'Li2 Sn1 Br1'
_cell_volume   94.17
_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  0.7  0.0  0.97  1.0
  Li  Li2  1  0.0  0.12  0.47  1.0
  Sn  Sn3  1  0.0  0.0  0.44  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Li2SnBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   66.5
_cell_angle_beta   72.61
_cell_angle_gamma   72.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SnBr
_chemical_formula_sum   'Li2 Sn1 Br1'
_cell_volume   94.17
_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  Li0  1  0.27  0.7  0.03  1.0
  Li  Li1  1  0.47  0.0  0.65  1.0
  Sn  Sn2  1  0.44  0.0  0.56  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

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