data_LiGaOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   147.19
_cell_angle_beta   127.11
_cell_angle_gamma   63.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaOs
_chemical_formula_sum   'Li1 Ga1 Os1'
_cell_volume   41.5
_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  0.0  0.22  1.0
  Ga  Ga0  1  0.0  0.0  0.77  1.0
  Os  Os2  1  0.0  0.0  0.63  1.0

data_LiGaOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.09
_cell_length_c   4.6
_cell_angle_alpha   116.44
_cell_angle_beta   106.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaOs
_chemical_formula_sum   'Li1 Ga1 Os1'
_cell_volume   41.5
_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  0.22  0.22  1.0
  Ga  Ga1  1  0.0  0.77  0.77  1.0
  Os  Os2  1  0.0  0.63  0.63  1.0

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