data_BaLi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   46.72
_cell_angle_beta   46.72
_cell_angle_gamma   46.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Sn
_chemical_formula_sum   'Ba1 Li2 Sn1'
_cell_volume   115.29
_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
  Ba  Ba0  1  0.0  0.0  0.27  1.0
  Li  Li1  1  0.0  0.0  0.5  1.0
  Li  Li2  1  0.0  0.0  0.03  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_BaLi2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.51
_cell_length_b   4.92
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   117.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaLi2Sn
_chemical_formula_sum   'Ba2 Li4 Sn2'
_cell_volume   230.58
_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
  Ba  Ba0  2  0.0  0.0  0.27  1.0
  Li  Li1  2  0.0  0.0  0.03  1.0
  Li  Li2  2  0.0  0.0  0.5  1.0
  Sn  Sn3  2  0.0  0.0  0.0  1.0

Ba Li Li Sn