data_Li2AlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlOs
_chemical_formula_sum   'Li2 Al1 Os1'
_cell_volume   61.16
_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  0.5  0.0  0.12  1.0
  Li  Li2  1  0.0  0.0  0.6  1.0
  Al  Al0  1  0.0  0.0  0.39  1.0
  Os  Os3  1  0.5  0.0  0.44  1.0

data_Li2AlOs
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.71
_cell_length_b   9.04
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   112.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Li2AlOs
_chemical_formula_sum   'Li2 Al1 Os1'
_cell_volume   61.16
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.4  0.0  1.0
  Li  Li1  1  0.5  0.88  0.0  1.0
  Al  Al2  1  0.0  0.61  0.0  1.0
  Os  Os3  1  0.5  0.56  0.0  1.0

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