data_TlVPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVPt
_chemical_formula_sum   'Tl1 V1 Pt1'
_cell_volume   60.0
_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  0.11  0.11  0.11  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.55  0.55  0.55  1.0

data_TlVPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   10.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlVPt
_chemical_formula_sum   'Tl3 V3 Pt3'
_cell_volume   180.01
_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  0.89  1.0
  V  V1  3  0.0  0.0  0.0  1.0
  Pt  Pt2  3  0.0  0.0  0.45  1.0

Tl V Pt
VPtTl crystallizes in the trigonal R3m space group. V(1) is bonded to three equivalent Pt(1) and one Tl(1) atom to form distorted VTlPt3 tetrahedra that share corners with three equivalent Pt(1)Tl3V3 octahedra, corners with three equivalent Tl(1)VPt3 tetrahedra, corners with six equivalent V(1)TlPt3 tetrahedra, and edges with three equivalent Tl(1)VPt3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All V(1)-Pt(1) bond lengths are 2.81 Å. The V(1)-Tl(1) bond length is 1.15 Å. Pt(1) is bonded to three equivalent V(1) and three equivalent Tl(1) atoms to form distorted PtTl3V3 octahedra that share corners with three equivalent V(1)TlPt3 tetrahedra, corners with three equivalent Tl(1)VPt3 tetrahedra, and edges with six equivalent Pt(1)Tl3V3 octahedra. All Pt(1)-Tl(1) bond lengths are 2.81 Å. Tl(1) is bonded to one V(1) and three equivalent Pt(1) atoms to form distorted TlVPt3 tetrahedra that share corners with three equivalent Pt(1)Tl3V3 octahedra, corners with three equivalent V(1)TlPt3 tetrahedra, corners with six equivalent Tl(1)VPt3 tetrahedra, and edges with three equivalent V(1)TlPt3 tetrahedra. The corner-sharing octahedral tilt angles are 64°.