data_PdRh2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdRh2Pb
_chemical_formula_sum   'Pd1 Rh2 Pb1'
_cell_volume   67.5
_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  0.15  0.0  0.69  1.0
  Rh  Rh3  1  0.15  0.0  0.46  1.0
  Pb  Pb0  1  0.0  0.0  0.57  1.0

data_PdRh2Pb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   PdRh2Pb
_chemical_formula_sum   'Pd1 Rh2 Pb1'
_cell_volume   67.52
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.15  0.0  0.46  1.0
  Rh  Rh2  1  0.15  0.0  0.69  1.0
  Pb  Pb3  1  0.0  0.0  0.57  1.0

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