data_Y2Ti2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   116.4
_cell_angle_beta   116.4
_cell_angle_gamma   96.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Ti2W
_chemical_formula_sum   'Y2 Ti2 W1'
_cell_volume   116.71
_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  0.85  0.8  1.0
  Y  Y4  1  0.85  0.0  0.8  1.0
  Ti  Ti0  1  0.0  0.0  0.72  1.0
  Ti  Ti1  1  0.0  0.0  0.48  1.0
  W  W2  1  0.0  0.0  0.0  1.0

data_Y2Ti2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.2
_cell_length_b   8.05
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   131.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2Ti2W
_chemical_formula_sum   'Y4 Ti4 W2'
_cell_volume   233.42
_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
  Y  Y0  4  0.12  0.08  0.2  1.0
  Ti  Ti1  2  0.02  0.5  0.52  1.0
  Ti  Ti2  2  0.28  0.0  0.28  1.0
  W  W3  2  0.0  0.0  0.0  1.0

Y Y Ti Ti W
Y Y Ti Ti W 0 2 o + o 0 4 o + + 0 1 - + o 1 2 + o o 1 4 + o + 2 3 o o o 