data_Al5Ru4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   96.49
_cell_angle_beta   96.49
_cell_angle_gamma   140.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Ru4
_chemical_formula_sum   'Al5 Ru4'
_cell_volume   126.93
_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  0.0  1.0
  Al  Al1  1  0.63  0.37  0.01  1.0
  Al  Al2  1  0.37  0.63  0.01  1.0
  Al  Al3  1  0.6  0.6  0.0  1.0
  Al  Al4  1  0.37  0.37  0.01  1.0
  Ru  Ru5  1  0.0  0.39  0.0  1.0
  Ru  Ru6  1  0.0  0.57  0.0  1.0
  Ru  Ru7  1  0.57  0.0  0.0  1.0
  Ru  Ru8  1  0.39  0.0  0.0  1.0

data_Al5Ru4
_symmetry_space_group_name_H-M   Fmm2
_cell_length_a   11.25
_cell_length_b   11.25
_cell_length_c   4.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   42
_chemical_formula_structural   Al5Ru4
_chemical_formula_sum   'Al20 Ru16'
_cell_volume   507.7
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
  9  'x+1/2, y, z+1/2'
  10  '-x+1/2, -y, z+1/2'
  11  '-x+1/2, y, z+1/2'
  12  'x+1/2, -y, z+1/2'
  13  'x+1/2, y+1/2, z'
  14  '-x+1/2, -y+1/2, z'
  15  '-x+1/2, y+1/2, z'
  16  '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  8  0.0  0.13  0.5  1.0
  Al  Al1  4  0.0  0.0  0.0  1.0
  Al  Al2  4  0.0  0.0  0.37  1.0
  Al  Al3  4  0.0  0.0  0.6  1.0
  Ru  Ru4  8  0.0  0.19  0.19  1.0
  Ru  Ru5  8  0.0  0.22  0.78  1.0

Al Al Al Al Al Ru Ru Ru Ru