data_BaPdRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPdRh2
_chemical_formula_sum   'Ba1 Pd1 Rh2'
_cell_volume   78.72
_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
  Ba  Ba0  1  0.01  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.5  0.12  0.54  1.0
  Rh  Rh3  1  0.5  0.88  0.54  1.0

data_BaPdRh2
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.2
_cell_length_b   3.09
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   109.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   BaPdRh2
_chemical_formula_sum   'Ba1 Pd1 Rh2'
_cell_volume   78.72
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  2  0.5  0.46  0.12  1.0

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