data_PdRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   117.04
_cell_angle_beta   117.04
_cell_angle_gamma   117.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdRh3
_chemical_formula_sum   'Pd1 Rh3'
_cell_volume   59.15
_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  0.81  0.74  0.89  1.0
  Rh  Rh2  1  0.19  0.74  0.89  1.0
  Rh  Rh3  1  0.0  0.53  0.89  1.0

data_PdRh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   117.04
_cell_angle_beta   100.02
_cell_angle_gamma   100.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdRh3
_chemical_formula_sum   'Pd1 Rh3'
_cell_volume   59.15
_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  0.89  0.08  0.16  1.0
  Rh  Rh2  1  0.89  0.71  0.16  1.0
  Rh  Rh3  1  0.89  0.89  0.37  1.0

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