data_YTaPbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaPbAu
_chemical_formula_sum   'Y1 Ta1 Pb1 Au1'
_cell_volume   94.15
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.81  0.81  0.81  1.0
  Pb  Pb1  1  0.42  0.42  0.42  1.0
  Au  Au0  1  0.61  0.61  0.61  1.0

data_YTaPbAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   12.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YTaPbAu
_chemical_formula_sum   'Y3 Ta3 Pb3 Au3'
_cell_volume   282.45
_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
  Y  Y0  3  0.0  0.0  0.0  1.0
  Ta  Ta1  3  0.0  0.0  0.19  1.0
  Pb  Pb2  3  0.0  0.0  0.58  1.0
  Au  Au3  3  0.0  0.0  0.39  1.0

Y Ta Pb Au
Y Ta Pb Au 0 1 - - - 0 1 - - o 0 1 o - - 0 1 - o - 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 o o o 1 2 + o o 1 2 o + o 1 2 o o + 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
YTaAuPb crystallizes in the trigonal R3m space group. Y(1) is bonded in a 7-coordinate geometry to one Ta(1), three equivalent Au(1), and three equivalent Pb(1) atoms. The Y(1)-Ta(1) bond length is 2.43 Å. All Y(1)-Au(1) bond lengths are 3.03 Å. All Y(1)-Pb(1) bond lengths are 3.12 Å. Ta(1) is bonded in a 5-coordinate geometry to one Y(1), one Au(1), and three equivalent Pb(1) atoms. The Ta(1)-Au(1) bond length is 2.43 Å. All Ta(1)-Pb(1) bond lengths are 3.03 Å. Au(1) is bonded in a 5-coordinate geometry to three equivalent Y(1), one Ta(1), and one Pb(1) atom. The Au(1)-Pb(1) bond length is 2.43 Å. Pb(1) is bonded in a 7-coordinate geometry to three equivalent Y(1), three equivalent Ta(1), and one Au(1) atom.