data_Ti2SbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27
_cell_length_b   9.27
_cell_length_c   9.27
_cell_angle_alpha   19.13
_cell_angle_beta   19.13
_cell_angle_gamma   19.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SbPd
_chemical_formula_sum   'Ti2 Sb1 Pd1'
_cell_volume   74.86
_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  0.18  1.0
  Ti  Ti3  1  0.0  0.0  0.78  1.0
  Sb  Sb1  1  0.0  0.0  0.46  1.0
  Pd  Pd0  1  0.0  0.0  0.84  1.0

data_Ti2SbPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   3.08
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   101.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2SbPd
_chemical_formula_sum   'Ti4 Sb2 Pd2'
_cell_volume   149.72
_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  0.0  0.0  0.22  1.0
  Ti  Ti1  2  0.0  0.0  0.82  1.0
  Sb  Sb2  2  0.0  0.0  0.54  1.0
  Pd  Pd3  2  0.0  0.0  0.16  1.0

Ti Ti Sb Pd