data_AlRh2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   131.01
_cell_angle_beta   131.01
_cell_angle_gamma   71.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRh2Au
_chemical_formula_sum   'Al1 Rh2 Au1'
_cell_volume   60.7
_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
  Rh  Rh2  1  0.0  0.0  0.87  1.0
  Rh  Rh3  1  0.0  0.98  0.93  1.0
  Au  Au1  1  0.98  0.0  0.93  1.0

data_AlRh2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   4.78
_cell_angle_alpha   114.49
_cell_angle_beta   114.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRh2Au
_chemical_formula_sum   'Al1 Rh2 Au1'
_cell_volume   60.7
_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
  Rh  Rh1  1  0.05  0.98  0.05  1.0
  Rh  Rh2  1  0.13  0.0  0.13  1.0
  Au  Au3  1  0.07  0.0  0.05  1.0

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