data_Gd2ScW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2ScW
_chemical_formula_sum   'Gd2 Sc1 W1'
_cell_volume   93.75
_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
  Gd  Gd0  1  0.41  0.41  0.41  1.0
  Gd  Gd1  1  0.8  0.8  0.8  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.61  0.61  0.61  1.0

data_Gd2ScW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Gd2ScW
_chemical_formula_sum   'Gd6 Sc3 W3'
_cell_volume   281.26
_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
  Gd  Gd0  3  0.0  0.0  0.2  1.0
  Gd  Gd1  3  0.0  0.0  0.59  1.0
  Sc  Sc2  3  0.0  0.0  0.0  1.0
  W  W3  3  0.0  0.0  0.39  1.0

Gd Gd Sc W
Gd Gd Sc W 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 - o o 0 1 o - o 0 1 o o - 1 3 o o o 1 2 + + + 1 2 + + o 1 2 o + + 1 2 + o + 2 3 - - o 2 3 - o - 2 3 o - - 
Gd2ScW crystallizes in the trigonal R3m space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a single-bond geometry to three equivalent Sc(1) and one W(1) atom. All Gd(1)-Sc(1) bond lengths are 3.09 Å. The Gd(1)-W(1) bond length is 2.46 Å. In the second Gd site, Gd(2) is bonded in a distorted linear geometry to four equivalent Sc(1) and one W(1) atom. There is one shorter (2.46 Å) and three longer (3.40 Å) Gd(2)-Sc(1) bond lengths. The Gd(2)-W(1) bond length is 2.46 Å. Sc(1) is bonded in a 10-coordinate geometry to three equivalent Gd(1), four equivalent Gd(2), and three equivalent W(1) atoms. All Sc(1)-W(1) bond lengths are 3.04 Å. W(1) is bonded in a distorted linear geometry to one Gd(1), one Gd(2), and three equivalent Sc(1) atoms.