data_YTi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.33
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2W
_chemical_formula_sum   'Y1 Ti2 W1'
_cell_volume   80.04
_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
  Y  Y3  1  0.0  0.0  0.66  1.0
  Ti  Ti0  1  0.48  0.17  0.27  1.0
  Ti  Ti1  1  0.0  0.0  0.6  1.0
  W  W2  1  0.48  0.17  0.84  1.0

data_YTi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.33
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2W
_chemical_formula_sum   'Y1 Ti2 W1'
_cell_volume   80.04
_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
  Y  Y0  1  0.0  0.0  0.66  1.0
  Ti  Ti1  1  0.0  0.0  0.6  1.0
  Ti  Ti2  1  0.48  0.17  0.27  1.0
  W  W3  1  0.48  0.17  0.84  1.0

Y Ti Ti W
Y Ti Ti W 0 2 o o o 0 1 o o o 0 1 - o o 0 3 o o o 0 3 - o o 1 2 o o o 1 2 + o o 1 1 + o o 1 3 o o - 2 3 o o o 2 3 - o o 