data_LiAl2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   5.08
_cell_angle_alpha   96.2
_cell_angle_beta   96.2
_cell_angle_gamma   34.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2Os
_chemical_formula_sum   'Li1 Al2 Os1'
_cell_volume   58.77
_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  0.0  0.0  0.0  1.0
  Al  Al0  1  0.46  0.0  0.33  1.0
  Al  Al1  1  0.66  0.0  0.71  1.0
  Os  Os3  1  0.06  0.0  0.52  1.0

data_LiAl2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.55
_cell_length_c   5.08
_cell_angle_alpha   96.2
_cell_angle_beta   90.0
_cell_angle_gamma   107.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2Os
_chemical_formula_sum   'Li1 Al2 Os1'
_cell_volume   58.77
_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
  Al  Al1  1  0.0  0.34  0.29  1.0
  Al  Al2  1  0.0  0.54  0.67  1.0
  Os  Os3  1  0.0  0.94  0.48  1.0

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