data_LiSb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   154.88
_cell_angle_beta   148.85
_cell_angle_gamma   40.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSb2Os
_chemical_formula_sum   'Li1 Sb2 Os1'
_cell_volume   84.46
_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  0.66  1.0
  Sb  Sb2  1  0.0  0.0  0.9  1.0
  Sb  Sb3  1  0.58  0.0  0.85  1.0
  Os  Os1  1  0.0  0.95  0.9  1.0

data_LiSb2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.91
_cell_length_c   7.28
_cell_angle_alpha   105.58
_cell_angle_beta   102.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSb2Os
_chemical_formula_sum   'Li1 Sb2 Os1'
_cell_volume   84.46
_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  0.66  0.66  1.0
  Sb  Sb1  1  0.0  0.85  0.27  1.0
  Sb  Sb2  1  0.0  0.9  0.9  1.0
  Os  Os3  1  0.05  0.95  0.95  1.0

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