data_Ti2SiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   136.36
_cell_angle_beta   121.12
_cell_angle_gamma   76.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SiSb
_chemical_formula_sum   'Ti2 Si1 Sb1'
_cell_volume   70.4
_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  0.44  0.15  1.0
  Ti  Ti3  1  0.85  0.0  0.76  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.0  0.0  0.91  1.0

data_Ti2SiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.88
_cell_length_c   4.96
_cell_angle_alpha   119.44
_cell_angle_beta   111.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SiSb
_chemical_formula_sum   'Ti2 Si1 Sb1'
_cell_volume   70.4
_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  Ti0  1  0.08  0.24  0.08  1.0
  Ti  Ti1  1  0.85  0.29  0.29  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.09  0.09  0.09  1.0

Ti Ti Si Sb