data_Pd2PtRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   131.84
_cell_angle_beta   131.84
_cell_angle_gamma   70.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2PtRh
_chemical_formula_sum   'Pd2 Pt1 Rh1'
_cell_volume   60.74
_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  0.96  0.0  0.97  1.0
  Pd  Pd1  1  0.0  0.96  0.97  1.0
  Pt  Pt2  1  0.0  0.0  0.93  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Pd2PtRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   125.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Pd2PtRh
_chemical_formula_sum   'Pd4 Pt2 Rh2'
_cell_volume   121.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.02  0.02  0.0  1.0
  Rh  Rh1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.0  0.0  0.93  1.0

Pd Pd Pt Rh
Pd Pd Pt Rh 0 3 + o + 0 2 + o o 1 3 o + + 1 2 o + o 2 3 o o + 