data_BaLiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   6.72
_cell_angle_alpha   109.19
_cell_angle_beta   109.19
_cell_angle_gamma   55.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiSn2
_chemical_formula_sum   'Ba1 Li1 Sn2'
_cell_volume   125.23
_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  0.12  0.0  0.12  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.94  0.0  0.81  1.0
  Sn  Sn3  1  0.3  0.0  0.43  1.0

data_BaLiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.93
_cell_length_c   6.72
_cell_angle_alpha   109.19
_cell_angle_beta   90.0
_cell_angle_gamma   117.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiSn2
_chemical_formula_sum   'Ba1 Li1 Sn2'
_cell_volume   125.23
_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  0.88  0.88  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.06  0.19  1.0
  Sn  Sn3  1  0.0  0.7  0.57  1.0

Ba Li Sn Sn