data_LiAlSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.96
_cell_angle_alpha   101.89
_cell_angle_beta   101.89
_cell_angle_gamma   42.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlSn2
_chemical_formula_sum   'Li1 Al1 Sn2'
_cell_volume   89.4
_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  0.0  1.0
  Al  Al0  1  0.8  0.0  0.91  1.0
  Sn  Sn2  1  0.37  0.0  0.44  1.0
  Sn  Sn3  1  0.23  0.0  0.37  1.0

data_LiAlSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.78
_cell_length_c   5.96
_cell_angle_alpha   101.89
_cell_angle_beta   90.0
_cell_angle_gamma   111.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlSn2
_chemical_formula_sum   'Li1 Al1 Sn2'
_cell_volume   89.4
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.2  0.09  1.0
  Sn  Sn2  1  0.0  0.63  0.56  1.0
  Sn  Sn3  1  0.0  0.77  0.63  1.0

Li Al Sn Sn