data_LiSnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.02
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSnOs2
_chemical_formula_sum   'Li1 Sn1 Os2'
_cell_volume   62.66
_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
  Sn  Sn3  1  0.0  0.0  0.71  1.0
  Os  Os1  1  0.44  0.01  0.2  1.0
  Os  Os2  1  0.44  0.01  0.22  1.0

data_LiSnOs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.87
_cell_length_b   4.02
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiSnOs2
_chemical_formula_sum   'Li1 Sn1 Os2'
_cell_volume   62.66
_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  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.71  1.0
  Os  Os2  1  0.44  0.0  0.2  1.0
  Os  Os3  1  0.44  0.0  0.22  1.0

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