data_LiGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94
_cell_length_b   8.94
_cell_length_c   8.94
_cell_angle_alpha   21.38
_cell_angle_beta   21.38
_cell_angle_gamma   21.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Sn
_chemical_formula_sum   'Li1 Ga2 Sn1'
_cell_volume   83.2
_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  Li2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.7  1.0
  Ga  Ga1  1  0.0  0.0  0.49  1.0
  Sn  Sn3  1  0.0  0.0  0.1  1.0

data_LiGa2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   3.32
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   102.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiGa2Sn
_chemical_formula_sum   'Li2 Ga4 Sn2'
_cell_volume   166.39
_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  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.3  1.0
  Ga  Ga2  2  0.0  0.0  0.51  1.0
  Sn  Sn3  2  0.0  0.0  0.9  1.0

Li Ga Ga Sn