data_TlVOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   4.31
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVOs
_chemical_formula_sum   'Tl1 V1 Os1'
_cell_volume   56.73
_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  0.57  0.57  0.57  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.52  0.52  0.52  1.0

data_TlVOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   10.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlVOs
_chemical_formula_sum   'Tl3 V3 Os3'
_cell_volume   170.2
_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  0.43  1.0
  V  V1  3  0.0  0.0  -0.0  1.0
  Os  Os2  3  0.0  0.0  0.48  1.0

Tl V Os
Tl V Os 0 2 o o o 0 1 + + o 0 1 + o + 0 1 o + + 1 2 - - o 1 2 - o - 1 2 - o o 1 2 o - - 1 2 o - o 1 2 o o - 
VOsTl crystallizes in the trigonal R3m space group. V(1) is bonded in a 6-coordinate geometry to three equivalent Os(1) and three equivalent Tl(1) atoms. All V(1)-Os(1) bond lengths are 3.21 Å. All V(1)-Tl(1) bond lengths are 2.67 Å. Os(1) is bonded in a single-bond geometry to three equivalent V(1) and one Tl(1) atom. The Os(1)-Tl(1) bond length is 0.53 Å. Tl(1) is bonded in a single-bond geometry to three equivalent V(1) and one Os(1) atom.