data_TaPtAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.86
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPtAu2
_chemical_formula_sum   'Ta1 Pt1 Au2'
_cell_volume   70.28
_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  Ta3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.44  0.43  0.0  1.0
  Au  Au0  1  0.0  0.43  0.51  1.0
  Au  Au1  1  0.44  0.0  0.51  1.0

data_TaPtAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.86
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPtAu2
_chemical_formula_sum   'Ta1 Pt1 Au2'
_cell_volume   70.28
_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  Ta0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.44  0.43  0.0  1.0
  Au  Au2  1  0.0  0.43  0.51  1.0
  Au  Au3  1  0.44  0.0  0.51  1.0

Ta Pt Au Au
Ta Pt Au Au 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 3 - o - 0 3 - o o 0 3 o o - 0 3 o o o 0 0 + o o 0 2 o o - 1 2 o o - 1 2 o o o 1 2 + o - 1 2 + o o 1 1 + o o 1 3 o o - 2 3 - o o 2 3 - + o 2 3 o o o 2 3 o + o 2 2 + o o 3 3 + o o 
TaPtAu2 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 8-coordinate geometry to four equivalent Pt(1), two equivalent Au(1), and four equivalent Au(2) atoms. There are a spread of Ta(1)-Pt(1) bond distances ranging from 2.44-3.21 Å. There is one shorter (3.22 Å) and one longer (3.32 Å) Ta(1)-Au(1) bond length. There are a spread of Ta(1)-Au(2) bond distances ranging from 2.76-3.04 Å. Pt(1) is bonded in a 2-coordinate geometry to four equivalent Ta(1), two equivalent Au(2), and four equivalent Au(1) atoms. There is one shorter (3.22 Å) and one longer (3.32 Å) Pt(1)-Au(2) bond length. There are a spread of Pt(1)-Au(1) bond distances ranging from 2.76-3.04 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 12-coordinate geometry to two equivalent Ta(1), four equivalent Pt(1), two equivalent Au(1), and four equivalent Au(2) atoms. Both Au(1)-Au(1) bond lengths are 2.88 Å. There are a spread of Au(1)-Au(2) bond distances ranging from 2.44-3.21 Å. In the second Au site, Au(2) is bonded in a 12-coordinate geometry to four equivalent Ta(1), two equivalent Pt(1), two equivalent Au(2), and four equivalent Au(1) atoms. Both Au(2)-Au(2) bond lengths are 2.88 Å.