data_Ti2PdRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.45
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   95.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2PdRh
_chemical_formula_sum   'Ti2 Pd1 Rh1'
_cell_volume   61.92
_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  Ti2  1  0.28  0.23  0.4  1.0
  Ti  Ti3  1  0.19  0.0  0.59  1.0
  Pd  Pd0  1  0.79  0.23  0.1  1.0
  Rh  Rh1  1  0.81  0.0  0.95  1.0

data_Ti2PdRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.45
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   95.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2PdRh
_chemical_formula_sum   'Ti2 Pd1 Rh1'
_cell_volume   61.92
_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  0.19  0.0  0.59  1.0
  Ti  Ti1  1  0.28  0.23  0.4  1.0
  Pd  Pd2  1  0.79  0.23  0.1  1.0
  Rh  Rh3  1  0.81  0.0  0.95  1.0

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