data_ScTl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2W
_chemical_formula_sum   'Sc1 Tl2 W1'
_cell_volume   83.62
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.54  0.2  0.54  1.0
  Tl  Tl2  1  0.54  0.8  0.54  1.0
  W  W3  1  0.08  0.0  0.0  1.0

data_ScTl2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   109.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2W
_chemical_formula_sum   'Sc1 Tl2 W1'
_cell_volume   83.62
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.54  0.54  0.2  1.0
  Tl  Tl2  1  0.54  0.54  0.8  1.0
  W  W3  1  0.0  0.08  0.0  1.0

Sc Tl Tl W
Sc Tl Tl W 0 3 o o o 1 2 o - o 
ScWTl2 crystallizes in the triclinic P1 space group. Sc(1) is bonded in a single-bond geometry to one W(1) and two equivalent Tl(2) atoms. The Sc(1)-W(1) bond length is 0.43 Å. There is one shorter (2.72 Å) and one longer (2.87 Å) Sc(1)-Tl(2) bond length. W(1) is bonded in a single-bond geometry to one Sc(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. There is one shorter (2.72 Å) and one longer (2.87 Å) W(1)-Tl(1) bond length. There is one shorter (3.32 Å) and one longer (3.44 Å) W(1)-Tl(2) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to two equivalent W(1) and two equivalent Tl(2) atoms. There is one shorter (2.13 Å) and one longer (3.24 Å) Tl(1)-Tl(2) bond length. In the second Tl site, Tl(2) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent W(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. Both Tl(2)-Tl(2) bond lengths are 3.09 Å.