data_AlFeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFeOs2
_chemical_formula_sum   'Al1 Fe1 Os2'
_cell_volume   55.5
_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  0.26  1.0
  Fe  Fe1  1  0.41  0.0  0.21  1.0
  Os  Os2  1  0.0  0.0  0.07  1.0
  Os  Os3  1  0.41  0.0  0.4  1.0

data_AlFeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFeOs2
_chemical_formula_sum   'Al1 Fe1 Os2'
_cell_volume   55.5
_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  0.26  1.0
  Fe  Fe1  1  0.41  0.0  0.21  1.0
  Os  Os2  1  0.0  0.0  0.07  1.0
  Os  Os3  1  0.41  0.0  0.4  1.0

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