data_SrTlW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTlW2
_chemical_formula_sum   'Sr1 Tl1 W2'
_cell_volume   94.16
_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
  Sr  Sr0  1  0.0  0.0  0.95  1.0
  Tl  Tl1  1  0.69  0.69  0.51  1.0
  W  W2  1  0.0  0.0  0.39  1.0
  W  W3  1  0.69  0.69  0.48  1.0

data_SrTlW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTlW2
_chemical_formula_sum   'Sr2 Tl2 W4'
_cell_volume   188.31
_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
  Sr  Sr0  2  0.0  0.0  0.95  1.0
  Tl  Tl1  2  0.19  0.5  0.51  1.0
  W  W2  2  0.0  0.0  0.39  1.0
  W  W3  2  0.19  0.5  0.48  1.0

Sr Tl W W
Sr Tl W W 0 1 - - o 0 0 + o o 0 0 o + o 0 2 o o + 1 3 o o o 1 2 + + o 2 3 - - o 
SrW2Tl crystallizes in the monoclinic Cm space group. Sr(1) is bonded to four equivalent Sr(1), one W(1), and one Tl(1) atom to form a mixture of distorted corner and edge-sharing SrSr4TlW octahedra. The corner-sharing octahedra are not tilted. All Sr(1)-Sr(1) bond lengths are 3.38 Å. The Sr(1)-W(1) bond length is 3.58 Å. The Sr(1)-Tl(1) bond length is 3.92 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 2-coordinate geometry to one Sr(1) and one W(2) atom. The W(1)-W(2) bond length is 1.65 Å. In the second W site, W(2) is bonded in a single-bond geometry to one W(1) and one Tl(1) atom. The W(2)-Tl(1) bond length is 0.27 Å. Tl(1) is bonded in a single-bond geometry to one Sr(1) and one W(2) atom.