data_Tl2CrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrW
_chemical_formula_sum   'Tl2 Cr1 W1'
_cell_volume   73.13
_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
  Tl  Tl1  1  0.66  0.66  0.66  1.0
  Tl  Tl2  1  0.98  0.98  0.98  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.32  0.32  0.32  1.0

data_Tl2CrW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   11.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tl2CrW
_chemical_formula_sum   'Tl6 Cr3 W3'
_cell_volume   219.39
_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
  Tl  Tl0  3  0.0  0.0  0.02  1.0
  Tl  Tl1  3  0.0  0.0  0.34  1.0
  Cr  Cr2  3  0.0  0.0  0.0  1.0
  W  W3  3  0.0  0.0  0.68  1.0

Tl Tl Cr W
WCrTl2 crystallizes in the trigonal R3m space group. W(1) is bonded in a 10-coordinate geometry to four equivalent Cr(1), three equivalent Tl(1), and three equivalent Tl(2) atoms. There are three shorter (2.71 Å) and one longer (3.67 Å) W(1)-Cr(1) bond length. All W(1)-Tl(1) bond lengths are 2.71 Å. All W(1)-Tl(2) bond lengths are 2.71 Å. Cr(1) is bonded in a single-bond geometry to four equivalent W(1) and one Tl(2) atom. The Cr(1)-Tl(2) bond length is 0.24 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a trigonal planar geometry to three equivalent W(1) atoms. In the second Tl site, Tl(2) is bonded in a single-bond geometry to three equivalent W(1) and one Cr(1) atom.