data_ScHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.3
_cell_length_b   9.3
_cell_length_c   9.3
_cell_angle_alpha   19.42
_cell_angle_beta   19.42
_cell_angle_gamma   19.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScHgW2
_chemical_formula_sum   'Sc1 Hg1 W2'
_cell_volume   77.81
_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  0.01  1.0
  Hg  Hg0  1  0.0  0.0  0.64  1.0
  W  W2  1  0.0  0.0  0.16  1.0
  W  W3  1  0.0  0.0  0.25  1.0

data_ScHgW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   3.14
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   101.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScHgW2
_chemical_formula_sum   'Sc2 Hg2 W4'
_cell_volume   155.62
_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  0.99  1.0
  Hg  Hg1  2  0.0  0.0  0.36  1.0
  W  W2  2  0.0  0.0  0.75  1.0
  W  W3  2  0.0  0.0  0.84  1.0

Sc Hg W W
Sc Hg W W 0 2 o o o 0 1 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 3 o o o 
ScW2Hg crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a single-bond geometry to one W(1) and one Hg(1) atom. The Sc(1)-W(1) bond length is 1.43 Å. The Sc(1)-Hg(1) bond length is 3.45 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a linear geometry to one Sc(1) and one W(2) atom. The W(1)-W(2) bond length is 0.78 Å. In the second W site, W(2) is bonded in a single-bond geometry to one W(1) and one Hg(1) atom. The W(2)-Hg(1) bond length is 3.64 Å. Hg(1) is bonded to one Sc(1), one W(2), and six equivalent Hg(1) atoms to form a mixture of distorted corner and edge-sharing HgScHg6W hexagonal bipyramids. All Hg(1)-Hg(1) bond lengths are 3.14 Å.