data_KScW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   10.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScW2
_chemical_formula_sum   'K1 Sc1 W2'
_cell_volume   83.15
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.46  1.0
  W  W2  1  0.38  0.38  0.79  1.0
  W  W3  1  0.38  0.38  0.13  1.0

data_KScW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   10.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KScW2
_chemical_formula_sum   'K2 Sc2 W4'
_cell_volume   166.29
_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
  K  K0  2  0.0  0.0  0.0  1.0
  Sc  Sc1  2  0.0  0.0  0.46  1.0
  W  W2  2  0.38  0.0  0.13  1.0
  W  W3  2  0.38  0.0  0.79  1.0

K Sc W W
KScW2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 1-coordinate geometry to one W(1) and one W(2) atom. The K(1)-W(1) bond length is 2.75 Å. The K(1)-W(2) bond length is 2.02 Å. Sc(1) is bonded to four equivalent Sc(1), one W(1), and one W(2) atom to form a mixture of distorted edge and corner-sharing ScSc4W2 octahedra. The corner-sharing octahedra are not tilted. All Sc(1)-Sc(1) bond lengths are 2.76 Å. The Sc(1)-W(1) bond length is 3.91 Å. The Sc(1)-W(2) bond length is 3.91 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 1-coordinate geometry to one K(1) and one Sc(1) atom. In the second W site, W(2) is bonded in a 1-coordinate geometry to one K(1) and one Sc(1) atom.