data_Al2FeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2FeRu
_chemical_formula_sum   'Al2 Fe1 Ru1'
_cell_volume   52.98
_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  0.49  0.0  0.95  1.0
  Al  Al1  1  0.49  0.0  0.89  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.92  1.0

data_Al2FeRu
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.72
_cell_length_b   7.84
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   113.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Al2FeRu
_chemical_formula_sum   'Al2 Fe1 Ru1'
_cell_volume   52.98
_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  0.5  0.05  0.0  1.0
  Al  Al1  1  0.5  0.11  0.0  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.08  0.0  1.0

Al Al Fe Ru