data_AlReRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.63
_cell_length_c   2.74
_cell_angle_alpha   83.29
_cell_angle_beta   73.41
_cell_angle_gamma   23.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlReRu
_chemical_formula_sum   'Al1 Re1 Ru1'
_cell_volume   43.72
_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  0.46  0.32  0.9  1.0
  Re  Re1  1  0.46  0.32  0.64  1.0
  Ru  Ru2  1  0.46  0.32  0.35  1.0

data_AlReRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.91
_cell_length_b   12.94
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   122.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlReRu
_chemical_formula_sum   'Al2 Re2 Ru2'
_cell_volume   87.43
_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  0.46  0.0  0.35  1.0
  Re  Re1  2  0.46  0.0  0.09  1.0
  Ru  Ru2  2  0.46  0.0  0.81  1.0

Al Re Ru