data_AlFe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.49
_cell_angle_alpha   102.04
_cell_angle_beta   102.04
_cell_angle_gamma   34.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2Os
_chemical_formula_sum   'Al1 Fe2 Os1'
_cell_volume   50.58
_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  0.42  0.0  0.32  1.0
  Fe  Fe1  1  0.02  0.0  0.03  1.0
  Fe  Fe2  1  0.22  0.0  0.08  1.0
  Os  Os3  1  0.79  0.0  0.14  1.0

data_AlFe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.49
_cell_length_c   4.51
_cell_angle_alpha   102.04
_cell_angle_beta   107.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2Os
_chemical_formula_sum   'Al1 Fe2 Os1'
_cell_volume   50.58
_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  0.32  0.42  1.0
  Fe  Fe1  1  0.0  0.03  0.02  1.0
  Fe  Fe2  1  0.0  0.08  0.22  1.0
  Os  Os3  1  0.0  0.14  0.79  1.0

Al Fe Fe Os