data_LiGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   132.99
_cell_angle_beta   132.99
_cell_angle_gamma   68.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Sn
_chemical_formula_sum   'Li1 Ga2 Sn1'
_cell_volume   78.93
_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  0.39  1.0
  Ga  Ga1  1  0.12  0.0  0.19  1.0
  Sn  Sn3  1  0.0  0.12  0.19  1.0

data_LiGa2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.32
_cell_angle_alpha   113.51
_cell_angle_beta   113.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Sn
_chemical_formula_sum   'Li1 Ga2 Sn1'
_cell_volume   78.93
_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
  Ga  Ga1  1  0.19  0.07  0.07  1.0
  Ga  Ga2  1  0.39  0.39  0.39  1.0
  Sn  Sn3  1  0.07  0.19  0.07  1.0

Li Ga Ga Sn
Li Ga Ga Sn 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 