data_TaBiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiPt
_chemical_formula_sum   'Ta1 Bi1 Pt1'
_cell_volume   69.48
_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
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.89  0.89  0.89  1.0
  Pt  Pt1  1  0.26  0.26  0.26  1.0

data_TaBiPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   11.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaBiPt
_chemical_formula_sum   'Ta3 Bi3 Pt3'
_cell_volume   208.44
_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
  Ta  Ta0  3  0.0  0.0  0.0  1.0
  Bi  Bi1  3  0.0  0.0  0.11  1.0
  Pt  Pt2  3  0.0  0.0  0.74  1.0

Ta Bi Pt
Ta Bi Pt 0 1 - - - 0 2 o o o 0 2 o o - 0 2 o - o 0 2 - o o 1 2 + + o 1 2 + o + 1 2 o + + 
TaPtBi crystallizes in the trigonal R3m space group. Ta(1) is bonded in a single-bond geometry to four equivalent Pt(1) and one Bi(1) atom. There are three shorter (2.78 Å) and one longer (2.97 Å) Ta(1)-Pt(1) bond length. The Ta(1)-Bi(1) bond length is 1.19 Å. Pt(1) is bonded to four equivalent Ta(1) and three equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing PtTa4Bi3 hexagonal pyramids. All Pt(1)-Bi(1) bond lengths are 2.69 Å. Bi(1) is bonded in a single-bond geometry to one Ta(1) and three equivalent Pt(1) atoms.