data_LiSn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   135.15
_cell_angle_beta   135.15
_cell_angle_gamma   65.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2Os
_chemical_formula_sum   'Li1 Sn2 Os1'
_cell_volume   71.79
_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  Sn2  1  0.0  0.0  0.44  1.0
  Sn  Sn3  1  0.0  0.01  0.22  1.0
  Os  Os1  1  0.01  0.0  0.22  1.0

data_LiSn2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   122.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiSn2Os
_chemical_formula_sum   'Li2 Sn4 Os2'
_cell_volume   143.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.44  1.0
  Sn  Sn2  2  0.49  0.5  0.21  1.0
  Os  Os3  2  0.49  0.5  0.21  1.0

Li Sn Sn Os