data_Sc2AgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.22
_cell_length_b   10.22
_cell_length_c   10.22
_cell_angle_alpha   16.84
_cell_angle_beta   16.84
_cell_angle_gamma   16.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AgW
_chemical_formula_sum   'Sc2 Ag1 W1'
_cell_volume   78.17
_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  0.0  0.0  0.11  1.0
  Sc  Sc2  1  0.0  0.0  0.84  1.0
  Ag  Ag0  1  0.0  0.0  0.47  1.0
  W  W3  1  0.0  0.0  0.14  1.0

data_Sc2AgW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   2.99
_cell_length_c   10.22
_cell_angle_alpha   90.0
_cell_angle_beta   99.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2AgW
_chemical_formula_sum   'Sc4 Ag2 W2'
_cell_volume   156.34
_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  0.16  1.0
  Sc  Sc1  2  0.0  0.0  0.89  1.0
  Ag  Ag2  2  0.0  0.0  0.53  1.0
  W  W3  2  0.0  0.0  0.86  1.0

Sc Sc Ag W
Sc Sc Ag W 0 3 o o o 0 1 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o + 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 
Sc2WAg crystallizes in the monoclinic Cm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Sc(2) and one W(1) atom. The Sc(1)-Sc(2) bond length is 2.79 Å. The Sc(1)-W(1) bond length is 0.26 Å. In the second Sc site, Sc(2) is bonded to one Sc(1), six equivalent Sc(2), and one Ag(1) atom to form ScSc7Ag hexagonal bipyramids that share corners with six equivalent Sc(2)Sc7Ag hexagonal bipyramids, edges with six equivalent Ag(1)ScAg6W hexagonal bipyramids, and edges with twelve equivalent Sc(2)Sc7Ag hexagonal bipyramids. All Sc(2)-Sc(2) bond lengths are 2.99 Å. The Sc(2)-Ag(1) bond length is 3.78 Å. W(1) is bonded in a single-bond geometry to one Sc(1) and one Ag(1) atom. The W(1)-Ag(1) bond length is 3.39 Å. Ag(1) is bonded to one Sc(2), one W(1), and six equivalent Ag(1) atoms to form AgScAg6W hexagonal bipyramids that share corners with six equivalent Ag(1)ScAg6W hexagonal bipyramids, edges with six equivalent Sc(2)Sc7Ag hexagonal bipyramids, and edges with twelve equivalent Ag(1)ScAg6W hexagonal bipyramids. All Ag(1)-Ag(1) bond lengths are 2.99 Å.