data_Al5Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Rh3
_chemical_formula_sum   'Al5 Rh3'
_cell_volume   112.07
_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  0.52  0.0  0.12  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.66  0.0  0.12  1.0
  Al  Al3  1  0.55  0.86  0.0  1.0
  Al  Al4  1  0.55  0.14  0.0  1.0
  Rh  Rh5  1  0.09  0.0  0.0  1.0
  Rh  Rh6  1  0.09  0.24  0.12  1.0
  Rh  Rh7  1  0.09  0.76  0.12  1.0

data_Al5Rh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   108.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Rh3
_chemical_formula_sum   'Al5 Rh3'
_cell_volume   112.07
_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  0.0  0.55  0.14  1.0
  Al  Al2  1  0.0  0.55  0.86  1.0
  Al  Al3  1  0.12  0.52  0.0  1.0
  Al  Al4  1  0.12  0.66  0.0  1.0
  Rh  Rh5  1  0.0  0.09  0.0  1.0
  Rh  Rh6  1  0.12  0.09  0.24  1.0
  Rh  Rh7  1  0.12  0.09  0.76  1.0

Al Al Al Al Al Rh Rh Rh
Al Al Al Al Al Rh Rh Rh 0 4 o o o 0 2 o o o 0 3 o - o 1 5 o o o 1 6 o o o 1 7 o - o 2 3 o - o 5 6 o o o 5 7 o - o 