data_LiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   151.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiOs
_chemical_formula_sum   'Li2 Os2'
_cell_volume   56.57
_cell_formula_units_Z   2
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  0.32  0.51  0.02  1.0
  Li  Li1  1  0.32  0.49  0.05  1.0
  Os  Os2  1  0.32  0.09  0.02  1.0
  Os  Os3  1  0.32  0.91  0.05  1.0

data_LiOs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.64
_cell_length_b   4.07
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   104.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiOs
_chemical_formula_sum   'Li2 Os2'
_cell_volume   56.57
_cell_formula_units_Z   2
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  2  0.49  0.48  0.99  1.0
  Os  Os1  2  0.09  0.52  0.59  1.0

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