data_TiPdRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   2.74
_cell_angle_alpha   103.99
_cell_angle_beta   103.99
_cell_angle_gamma   118.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPdRh2
_chemical_formula_sum   'Ti1 Pd1 Rh2'
_cell_volume   59.71
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.71  0.0  0.0  1.0
  Rh  Rh1  1  0.71  0.72  0.21  1.0
  Rh  Rh2  1  0.71  0.28  0.21  1.0

data_TiPdRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.78
_cell_length_c   5.3
_cell_angle_alpha   116.18
_cell_angle_beta   103.99
_cell_angle_gamma   92.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPdRh2
_chemical_formula_sum   'Ti1 Pd1 Rh2'
_cell_volume   59.71
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.71  1.0
  Rh  Rh2  1  0.49  0.28  0.99  1.0
  Rh  Rh3  1  0.93  0.72  0.43  1.0

Ti Pd Rh Rh