data_PdRh2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.83
_cell_angle_alpha   99.84
_cell_angle_beta   99.84
_cell_angle_gamma   33.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdRh2Au
_chemical_formula_sum   'Pd1 Rh2 Au1'
_cell_volume   61.68
_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
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.69  0.0  0.6  1.0
  Rh  Rh3  1  0.73  0.0  0.16  1.0
  Au  Au0  1  0.21  0.0  0.38  1.0

data_PdRh2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.83
_cell_length_c   4.85
_cell_angle_alpha   99.84
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdRh2Au
_chemical_formula_sum   'Pd1 Rh2 Au1'
_cell_volume   61.68
_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
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.16  0.73  1.0
  Rh  Rh2  1  0.0  0.6  0.69  1.0
  Au  Au3  1  0.0  0.38  0.21  1.0

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