data_ScTi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi2W
_chemical_formula_sum   'Sc1 Ti2 W1'
_cell_volume   73.82
_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
  Sc  Sc0  1  0.0  0.0  0.96  1.0
  Ti  Ti1  1  0.65  0.65  0.28  1.0
  Ti  Ti2  1  0.0  0.0  0.82  1.0
  W  W3  1  0.65  0.65  0.13  1.0

data_ScTi2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTi2W
_chemical_formula_sum   'Sc2 Ti4 W2'
_cell_volume   147.63
_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
  Sc  Sc0  2  0.0  0.0  0.96  1.0
  Ti  Ti1  2  0.0  0.0  0.82  1.0
  Ti  Ti2  2  0.15  0.5  0.28  1.0
  W  W3  2  0.15  0.5  0.13  1.0

Sc Ti Ti W
Sc Ti Ti W 0 2 o o o 1 3 o o o 
ScTi2W crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScTi2W clusters. Sc(1) is bonded in a 2-coordinate geometry to one Ti(2) and one W(1) atom. The Sc(1)-Ti(2) bond length is 0.95 Å. The Sc(1)-W(1) bond length is 2.01 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one W(1) atom. The Ti(1)-W(1) bond length is 1.06 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Sc(1) atom. W(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Ti(1) atom.