data_TiPdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.41
_cell_length_c   2.81
_cell_angle_alpha   81.68
_cell_angle_beta   73.51
_cell_angle_gamma   24.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPdRu
_chemical_formula_sum   'Ti1 Pd1 Ru1'
_cell_volume   45.96
_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  0.61  0.3  0.06  1.0
  Pd  Pd0  1  0.61  0.3  0.34  1.0
  Ru  Ru1  1  0.61  0.3  0.43  1.0

data_TiPdRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.23
_cell_length_b   12.41
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   125.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiPdRu
_chemical_formula_sum   'Ti2 Pd2 Ru2'
_cell_volume   91.92
_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  0.3  0.0  0.33  1.0
  Pd  Pd1  2  0.3  0.0  0.05  1.0
  Ru  Ru2  2  0.3  0.0  0.96  1.0

Ti Pd Ru