data_AlTlAgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlAgPb
_chemical_formula_sum   'Al1 Tl1 Ag1 Pb1'
_cell_volume   98.07
_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
  Al  Al1  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.83  0.83  0.83  1.0
  Ag  Ag0  1  0.66  0.66  0.66  1.0
  Pb  Pb2  1  0.49  0.49  0.49  1.0

data_AlTlAgPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlTlAgPb
_chemical_formula_sum   'Al3 Tl3 Ag3 Pb3'
_cell_volume   294.21
_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
  Al  Al0  3  0.0  0.0  0.0  1.0
  Tl  Tl1  3  0.0  0.0  0.17  1.0
  Ag  Ag2  3  0.0  0.0  0.34  1.0
  Pb  Pb3  3  0.0  0.0  0.51  1.0

Al Tl Ag Pb
Al Tl Ag Pb 0 1 - - - 1 2 o o o 2 3 o o o 
AgTlAlPb crystallizes in the trigonal R3m space group. Ag(1) is bonded to one Tl(1), three equivalent Al(1), and one Pb(1) atom to form distorted AgAl3TlPb trigonal bipyramids that share corners with six equivalent Ag(1)Al3TlPb trigonal bipyramids,  a cornercorner with one Al(1)TlAg3 trigonal pyramid, corners with three equivalent Pb(1)Tl3Ag trigonal pyramids, and edges with three equivalent Tl(1)AlAgPb3 trigonal bipyramids. The Ag(1)-Tl(1) bond length is 2.15 Å. All Ag(1)-Al(1) bond lengths are 2.99 Å. The Ag(1)-Pb(1) bond length is 2.15 Å. Tl(1) is bonded to one Ag(1), one Al(1), and three equivalent Pb(1) atoms to form TlAlAgPb3 trigonal bipyramids that share corners with six equivalent Tl(1)AlAgPb3 trigonal bipyramids,  a cornercorner with one Pb(1)Tl3Ag trigonal pyramid, corners with three equivalent Al(1)TlAg3 trigonal pyramids, and edges with three equivalent Ag(1)Al3TlPb trigonal bipyramids. The Tl(1)-Al(1) bond length is 2.15 Å. All Tl(1)-Pb(1) bond lengths are 2.99 Å. Al(1) is bonded to three equivalent Ag(1) and one Tl(1) atom to form AlTlAg3 trigonal pyramids that share  a cornercorner with one Ag(1)Al3TlPb trigonal bipyramid, corners with three equivalent Tl(1)AlAgPb3 trigonal bipyramids, corners with six equivalent Al(1)TlAg3 trigonal pyramids, and edges with three equivalent Pb(1)Tl3Ag trigonal pyramids. Pb(1) is bonded to one Ag(1) and three equivalent Tl(1) atoms to form PbTl3Ag trigonal pyramids that share  a cornercorner with one Tl(1)AlAgPb3 trigonal bipyramid, corners with three equivalent Ag(1)Al3TlPb trigonal bipyramids, corners with six equivalent Pb(1)Tl3Ag trigonal pyramids, and edges with three equivalent Al(1)TlAg3 trigonal pyramids.