data_Li2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.53
_cell_length_c   2.45
_cell_angle_alpha   84.39
_cell_angle_beta   70.8
_cell_angle_gamma   24.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Os
_chemical_formula_sum   'Li2 Os1'
_cell_volume   26.98
_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  0.15  0.17  0.48  1.0
  Li  Li1  1  0.15  0.17  0.33  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0

data_Li2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.3
_cell_length_b   2.45
_cell_length_c   5.53
_cell_angle_alpha   84.39
_cell_angle_beta   77.97
_cell_angle_gamma   62.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Os
_chemical_formula_sum   'Li2 Os1'
_cell_volume   26.98
_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  0.64  0.52  0.68  1.0
  Li  Li1  1  0.8  0.37  0.68  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0

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