data_Sc2ZnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnW
_chemical_formula_sum   'Sc2 Zn1 W1'
_cell_volume   72.57
_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  0.66  0.66  0.66  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.31  0.31  0.31  1.0
  W  W2  1  0.97  0.97  0.97  1.0

data_Sc2ZnW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   11.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sc2ZnW
_chemical_formula_sum   'Sc6 Zn3 W3'
_cell_volume   217.7
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Sc  Sc1  3  0.0  0.0  0.34  1.0
  Zn  Zn2  3  0.0  0.0  0.69  1.0
  W  W3  3  0.0  0.0  0.03  1.0

Sc Sc Zn W
Sc Sc Zn W 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 0 3 - o o 0 3 o - o 0 3 o o - 1 3 - - - 1 2 o o - 1 2 o - o 1 2 - o o 2 3 - - o 2 3 - o - 2 3 o - - 
Sc2WZn crystallizes in the trigonal R3m space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to four equivalent W(1) and three equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing ScZn3W4 hexagonal pyramids. There are three shorter (2.72 Å) and one longer (3.56 Å) Sc(1)-W(1) bond length. All Sc(1)-Zn(1) bond lengths are 2.71 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one W(1) and four equivalent Zn(1) atoms. The Sc(2)-W(1) bond length is 0.39 Å. There are three shorter (2.72 Å) and one longer (3.56 Å) Sc(2)-Zn(1) bond length. W(1) is bonded in a single-bond geometry to one Sc(2), four equivalent Sc(1), and three equivalent Zn(1) atoms. All W(1)-Zn(1) bond lengths are 2.71 Å. Zn(1) is bonded in a 10-coordinate geometry to three equivalent Sc(1), four equivalent Sc(2), and three equivalent W(1) atoms.