data_Sc2MoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MoW
_chemical_formula_sum   'Sc2 Mo1 W1'
_cell_volume   73.6
_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  Sc1  1  0.4  0.4  0.36  1.0
  Sc  Sc2  1  0.4  0.4  0.07  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.71  1.0

data_Sc2MoW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2MoW
_chemical_formula_sum   'Sc4 Mo2 W2'
_cell_volume   147.2
_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  0.4  0.0  0.07  1.0
  Sc  Sc1  2  0.4  0.0  0.36  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.71  1.0

Sc Sc Mo W
Sc2WMo crystallizes in the monoclinic Cm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 8-coordinate geometry to one Sc(2), four equivalent Sc(1), and three equivalent W(1) atoms. The Sc(1)-Sc(2) bond length is 2.66 Å. All Sc(1)-Sc(1) bond lengths are 2.79 Å. There is one shorter (3.73 Å) and two longer (3.94 Å) Sc(1)-W(1) bond lengths. In the second Sc site, Sc(2) is bonded in a 3-coordinate geometry to one Sc(1) and four equivalent Mo(1) atoms. There are a spread of Sc(2)-Mo(1) bond distances ranging from 1.71-2.48 Å. W(1) is bonded in a 1-coordinate geometry to three equivalent Sc(1) and one Mo(1) atom. The W(1)-Mo(1) bond length is 2.69 Å. Mo(1) is bonded in a 5-coordinate geometry to four equivalent Sc(2) and one W(1) atom.