data_Al2FeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.98
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2FeOs
_chemical_formula_sum   'Al2 Fe1 Os1'
_cell_volume   54.28
_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
  Al  Al1  1  0.58  0.0  0.16  1.0
  Fe  Fe2  1  0.58  0.99  0.0  1.0
  Os  Os3  1  0.0  0.99  0.16  1.0

data_Al2FeOs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.15
_cell_length_b   3.98
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Al2FeOs
_chemical_formula_sum   'Al2 Fe1 Os1'
_cell_volume   54.28
_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
  Al  Al0  1  0.0  0.5  0.0  1.0
  Al  Al1  1  0.58  0.5  0.16  1.0
  Fe  Fe2  1  0.58  0.5  -0.0  1.0
  Os  Os3  1  -0.0  0.5  0.16  1.0

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