data_TiPd2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   132.1
_cell_angle_beta   130.21
_cell_angle_gamma   71.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPd2Rh
_chemical_formula_sum   'Ti1 Pd2 Rh1'
_cell_volume   59.94
_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  0.76  1.0
  Pd  Pd0  1  0.0  0.01  0.84  1.0
  Pd  Pd1  1  0.0  0.0  0.94  1.0
  Rh  Rh2  1  0.0  0.01  0.05  1.0

data_TiPd2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.01
_cell_length_c   4.76
_cell_angle_alpha   114.89
_cell_angle_beta   113.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPd2Rh
_chemical_formula_sum   'Ti1 Pd2 Rh1'
_cell_volume   59.94
_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  0.76  0.76  1.0
  Pd  Pd1  1  0.0  0.94  0.94  1.0
  Pd  Pd2  1  0.99  0.84  0.84  1.0
  Rh  Rh3  1  0.99  0.04  0.04  1.0

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