data_Al2SnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SnOs
_chemical_formula_sum   'Al2 Sn1 Os1'
_cell_volume   70.78
_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
  Al  Al0  1  0.65  0.65  0.25  1.0
  Al  Al1  1  0.0  0.0  0.81  1.0
  Sn  Sn3  1  0.0  0.0  0.79  1.0
  Os  Os2  1  0.65  0.65  0.84  1.0

data_Al2SnOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2SnOs
_chemical_formula_sum   'Al4 Sn2 Os2'
_cell_volume   141.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  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
  Al  Al0  2  0.0  0.0  0.81  1.0
  Al  Al1  2  0.15  0.5  0.25  1.0
  Sn  Sn2  2  0.0  0.0  0.79  1.0
  Os  Os3  2  0.15  0.5  0.84  1.0

Al Al Sn Os
Al Al Sn Os 0 2 o + - 0 2 + o - 0 2 + + - 0 2 + + o 0 1 o + - 0 1 + o - 0 1 + + - 0 0 + o o 0 0 o + o 0 3 o o - 0 3 o o o 1 2 o o o 1 3 - - o 2 3 - - o 