data_TiSbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.86
_cell_length_c   3.23
_cell_angle_alpha   75.05
_cell_angle_beta   73.11
_cell_angle_gamma   31.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSbPd
_chemical_formula_sum   'Ti1 Sb1 Pd1'
_cell_volume   56.46
_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  0.21  0.36  0.8  1.0
  Sb  Sb1  1  0.21  0.36  0.24  1.0
  Pd  Pd0  1  0.21  0.36  0.66  1.0

data_TiSbPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   10.85
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   133.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiSbPd
_chemical_formula_sum   'Ti2 Sb2 Pd2'
_cell_volume   112.92
_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  0.36  0.0  0.99  1.0
  Sb  Sb1  2  0.36  0.0  0.55  1.0
  Pd  Pd2  2  0.36  0.0  0.13  1.0

Ti Sb Pd