data_YTaAlPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaAlPb
_chemical_formula_sum   'Y1 Ta1 Al1 Pb1'
_cell_volume   93.72
_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  0.61  0.61  0.61  1.0
  Ta  Ta2  1  0.8  0.8  0.8  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.41  0.41  0.41  1.0

data_YTaAlPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YTaAlPb
_chemical_formula_sum   'Y3 Ta3 Al3 Pb3'
_cell_volume   281.15
_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  0.39  1.0
  Ta  Ta1  3  0.0  0.0  0.2  1.0
  Al  Al2  3  0.0  0.0  0.0  1.0
  Pb  Pb3  3  0.0  0.0  0.59  1.0

Y Ta Al Pb
Y Ta Al Pb 0 3 o o o 0 3 o + o 0 3 + o o 0 3 o o + 0 2 o + + 0 2 + o + 0 2 + + o 0 1 o o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 + + + 1 2 + + o 1 2 o + + 1 2 + o + 2 3 - o o 2 3 o - o 2 3 o o - 
YTaAlPb crystallizes in the trigonal R3m space group. Y(1) is bonded in a 2-coordinate geometry to one Ta(1), three equivalent Al(1), and one Pb(1) atom. The Y(1)-Ta(1) bond length is 2.47 Å. All Y(1)-Al(1) bond lengths are 3.04 Å. The Y(1)-Pb(1) bond length is 2.47 Å. Ta(1) is bonded in a 5-coordinate geometry to one Y(1), one Al(1), and three equivalent Pb(1) atoms. The Ta(1)-Al(1) bond length is 2.47 Å. All Ta(1)-Pb(1) bond lengths are 3.04 Å. Al(1) is bonded in a 7-coordinate geometry to three equivalent Y(1), one Ta(1), and three equivalent Pb(1) atoms. All Al(1)-Pb(1) bond lengths are 3.09 Å. Pb(1) is bonded in a distorted single-bond geometry to one Y(1), three equivalent Ta(1), and three equivalent Al(1) atoms.