data_TlAsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAsPt
_chemical_formula_sum   'Tl1 As1 Pt1'
_cell_volume   69.74
_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  Tl2  1  0.63  0.63  0.63  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.27  0.27  0.27  1.0

data_TlAsPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   11.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlAsPt
_chemical_formula_sum   'Tl3 As3 Pt3'
_cell_volume   209.23
_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  0.37  1.0
  As  As1  3  0.0  0.0  0.0  1.0
  Pt  Pt2  3  0.0  0.0  0.73  1.0

Tl As Pt
PtTlAs crystallizes in the trigonal R3m space group. Pt(1) is bonded to three equivalent Tl(1) and four equivalent As(1) atoms to form distorted PtTl3As4 hexagonal pyramids that share corners with three equivalent As(1)Tl3Pt4 hexagonal pyramids, corners with six equivalent Pt(1)Tl3As4 hexagonal pyramids, edges with three equivalent As(1)Tl3Pt4 hexagonal pyramids, and edges with six equivalent Pt(1)Tl3As4 hexagonal pyramids. All Pt(1)-Tl(1) bond lengths are 2.69 Å. There are three shorter (2.77 Å) and one longer (3.02 Å) Pt(1)-As(1) bond length. Tl(1) is bonded in a hexagonal planar geometry to three equivalent Pt(1) and three equivalent As(1) atoms. All Tl(1)-As(1) bond lengths are 2.69 Å. As(1) is bonded to four equivalent Pt(1) and three equivalent Tl(1) atoms to form distorted AsTl3Pt4 hexagonal pyramids that share corners with three equivalent Pt(1)Tl3As4 hexagonal pyramids, corners with six equivalent As(1)Tl3Pt4 hexagonal pyramids, edges with three equivalent Pt(1)Tl3As4 hexagonal pyramids, and edges with six equivalent As(1)Tl3Pt4 hexagonal pyramids.