data_TiIrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   151.58
_cell_angle_beta   151.58
_cell_angle_gamma   40.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIrPd
_chemical_formula_sum   'Ti1 Ir1 Pd1'
_cell_volume   46.4
_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  0.0  0.0  0.28  1.0
  Ir  Ir0  1  0.0  0.0  0.16  1.0
  Pd  Pd1  1  0.0  0.0  0.62  1.0

data_TiIrPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   110.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiIrPd
_chemical_formula_sum   'Ti2 Ir2 Pd2'
_cell_volume   92.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.28  0.0  0.28  1.0
  Pd  Pd1  2  0.12  0.5  0.62  1.0
  Ir  Ir2  2  0.16  0.0  0.16  1.0

Ti Ir Pd