data_Li2GaOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.03
_cell_angle_alpha   95.56
_cell_angle_beta   95.56
_cell_angle_gamma   32.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaOs
_chemical_formula_sum   'Li2 Ga1 Os1'
_cell_volume   57.36
_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  0.56  0.0  0.94  1.0
  Li  Li2  1  0.82  0.0  0.77  1.0
  Ga  Ga0  1  0.55  0.0  0.38  1.0
  Os  Os3  1  0.17  0.0  0.41  1.0

data_Li2GaOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.64
_cell_length_c   5.03
_cell_angle_alpha   95.56
_cell_angle_beta   90.0
_cell_angle_gamma   106.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaOs
_chemical_formula_sum   'Li2 Ga1 Os1'
_cell_volume   57.36
_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  0.18  0.23  1.0
  Li  Li1  1  0.0  0.44  0.06  1.0
  Ga  Ga2  1  0.0  0.45  0.62  1.0
  Os  Os3  1  0.0  0.83  0.59  1.0

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