data_AlFeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.42
_cell_length_c   2.69
_cell_angle_alpha   83.06
_cell_angle_beta   73.31
_cell_angle_gamma   23.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFeOs
_chemical_formula_sum   'Al1 Fe1 Os1'
_cell_volume   40.86
_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  0.44  0.26  0.03  1.0
  Fe  Fe1  1  0.44  0.26  0.31  1.0
  Os  Os2  1  0.44  0.26  0.16  1.0

data_AlFeOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.88
_cell_length_b   12.51
_cell_length_c   2.69
_cell_angle_alpha   90.0
_cell_angle_beta   122.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlFeOs
_chemical_formula_sum   'Al2 Fe2 Os2'
_cell_volume   81.71
_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  0.26  0.0  0.53  1.0
  Fe  Fe1  2  0.26  0.0  0.25  1.0
  Os  Os2  2  0.26  0.0  0.4  1.0

Al Fe Os