data_Al3Rh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.77
_cell_length_c   5.31
_cell_angle_alpha   90.43
_cell_angle_beta   106.45
_cell_angle_gamma   94.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Rh5
_chemical_formula_sum   'Al3 Rh5'
_cell_volume   113.83
_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  0.62  0.7  0.22  1.0
  Al  Al1  1  0.84  0.14  0.42  1.0
  Al  Al2  1  0.23  0.48  0.82  1.0
  Rh  Rh3  1  0.08  0.19  0.98  1.0
  Rh  Rh4  1  0.9  0.64  0.78  1.0
  Rh  Rh5  1  0.74  0.09  0.86  1.0
  Rh  Rh6  1  0.39  0.26  0.5  1.0
  Rh  Rh7  1  0.02  0.66  0.25  1.0

data_Al3Rh5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   4.77
_cell_length_c   5.31
_cell_angle_alpha   90.43
_cell_angle_beta   106.45
_cell_angle_gamma   94.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Rh5
_chemical_formula_sum   'Al3 Rh5'
_cell_volume   113.83
_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  0.23  0.48  0.82  1.0
  Al  Al1  1  0.62  0.7  0.22  1.0
  Al  Al2  1  0.84  0.14  0.42  1.0
  Rh  Rh3  1  0.02  0.66  0.25  1.0
  Rh  Rh4  1  0.08  0.19  0.98  1.0
  Rh  Rh5  1  0.39  0.26  0.5  1.0
  Rh  Rh6  1  0.74  0.09  0.86  1.0
  Rh  Rh7  1  0.9  0.64  0.78  1.0

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