data_LiGa2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   4.76
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   91.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Os
_chemical_formula_sum   'Li1 Ga2 Os1'
_cell_volume   59.01
_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  0.23  0.0  0.34  1.0
  Ga  Ga0  1  0.62  0.0  0.06  1.0
  Ga  Ga1  1  0.54  0.38  0.46  1.0
  Os  Os3  1  0.05  0.38  0.16  1.0

data_LiGa2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.68
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Os
_chemical_formula_sum   'Li1 Ga2 Os1'
_cell_volume   59.01
_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  0.77  0.66  0.0  1.0
  Ga  Ga1  1  0.38  0.94  0.0  1.0
  Ga  Ga2  1  0.46  0.54  0.62  1.0
  Os  Os3  1  0.95  0.84  0.62  1.0

Li Ga Ga Os
Li Ga Ga Os 0 3 o o o 0 1 - o o 0 1 o o o 0 2 o o o 1 3 + o o 2 3 o o o 2 3 + o o 