data_Ti2SbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.57
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   103.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SbP
_chemical_formula_sum   'Ti2 Sb1 P1'
_cell_volume   70.56
_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  0.43  0.79  0.86  1.0
  Ti  Ti3  1  0.23  0.79  0.35  1.0
  Sb  Sb1  1  0.83  0.0  0.1  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Ti2SbP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.57
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   103.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SbP
_chemical_formula_sum   'Ti2 Sb1 P1'
_cell_volume   70.56
_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  0.23  0.79  0.35  1.0
  Ti  Ti1  1  0.43  0.79  0.86  1.0
  Sb  Sb2  1  0.83  0.0  0.1  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ti Ti Sb P
Ti Ti Sb P 0 3 o + + 0 3 + + + 0 2 o + + 1 3 o + o 1 2 - + o 2 3 + o o 