data_Ti2SbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SbW
_chemical_formula_sum   'Ti2 Sb1 W1'
_cell_volume   72.06
_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  Ti1  1  0.71  0.0  0.26  1.0
  Ti  Ti2  1  0.71  0.0  0.28  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.27  1.0

data_Ti2SbW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SbW
_chemical_formula_sum   'Ti2 Sb1 W1'
_cell_volume   72.06
_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  0.71  0.0  0.26  1.0
  Ti  Ti1  1  0.71  0.0  0.28  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.27  1.0

Ti Ti Sb W
Ti Ti Sb W 0 1 o o o 0 2 + o o 0 3 + o o 1 2 + o o 1 3 + o o 2 3 o o o 