data_Al3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   116.43
_cell_angle_beta   116.43
_cell_angle_gamma   116.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Rh
_chemical_formula_sum   'Al3 Rh1'
_cell_volume   59.59
_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  0.45  0.96  1.0
  Al  Al1  1  0.12  0.78  0.96  1.0
  Al  Al2  1  0.88  0.78  0.96  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Al3Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   116.43
_cell_angle_beta   101.04
_cell_angle_gamma   101.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Rh
_chemical_formula_sum   'Al3 Rh1'
_cell_volume   59.59
_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  0.96  0.08  0.18  1.0
  Al  Al1  1  0.96  0.83  0.18  1.0
  Al  Al2  1  0.96  0.96  0.51  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Al Al Al Rh
Al Al Al Rh 0 1 o o o 1 3 o + + 1 2 - o o 2 3 + + + 