data_Li2GaOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   129.73
_cell_angle_beta   129.73
_cell_angle_gamma   73.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaOs
_chemical_formula_sum   'Li2 Ga1 Os1'
_cell_volume   52.88
_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  0.92  0.8  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.6  1.0
  Os  Os3  1  0.92  0.0  0.8  1.0

data_Li2GaOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   4.51
_cell_angle_alpha   115.14
_cell_angle_beta   115.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaOs
_chemical_formula_sum   'Li2 Ga1 Os1'
_cell_volume   52.88
_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
  Li  Li1  1  0.11  0.92  0.11  1.0
  Ga  Ga2  1  0.4  0.0  0.4  1.0
  Os  Os3  1  0.2  0.0  0.11  1.0

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