data_AlSnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   2.96
_cell_angle_alpha   105.66
_cell_angle_beta   105.66
_cell_angle_gamma   110.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSnOs2
_chemical_formula_sum   'Al1 Sn1 Os2'
_cell_volume   65.66
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.95  0.0  0.0  1.0
  Os  Os1  1  0.77  0.13  0.3  1.0
  Os  Os2  1  0.77  0.87  0.3  1.0

data_AlSnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   110.72
_cell_angle_beta   105.66
_cell_angle_gamma   105.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSnOs2
_chemical_formula_sum   'Al1 Sn1 Os2'
_cell_volume   65.66
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.95  0.0  1.0
  Os  Os2  1  0.3  0.77  0.13  1.0
  Os  Os3  1  0.3  0.77  0.87  1.0

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