data_AlTlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlPd2
_chemical_formula_sum   'Al1 Tl1 Pd2'
_cell_volume   71.71
_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  Al0  1  0.0  0.0  0.95  1.0
  Tl  Tl3  1  0.73  0.73  0.87  1.0
  Pd  Pd1  1  0.73  0.73  0.77  1.0
  Pd  Pd2  1  0.0  0.0  0.45  1.0

data_AlTlPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlTlPd2
_chemical_formula_sum   'Al2 Tl2 Pd4'
_cell_volume   143.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Al0  2  0.0  0.0  0.95  1.0
  Tl  Tl1  2  0.23  0.5  0.87  1.0
  Pd  Pd2  2  0.0  0.0  0.45  1.0
  Pd  Pd3  2  0.23  0.5  0.77  1.0

Al Tl Pd Pd
Al Tl Pd Pd 0 2 - - o 0 1 - - o 0 3 o o + 0 3 o o o 1 2 o o o 1 3 + + o 2 3 + + o 
Pd2TlAl crystallizes in the monoclinic Cm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to one Pd(2), one Tl(1), and three equivalent Al(1) atoms. The Pd(1)-Pd(2) bond length is 2.34 Å. The Pd(1)-Tl(1) bond length is 0.59 Å. There is one shorter (1.71 Å) and two longer (2.89 Å) Pd(1)-Al(1) bond lengths. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one Pd(1) and two equivalent Al(1) atoms. There is one shorter (3.00 Å) and one longer (3.02 Å) Pd(2)-Al(1) bond length. Tl(1) is bonded in a single-bond geometry to one Pd(1) and three equivalent Al(1) atoms. There is one shorter (1.42 Å) and two longer (2.72 Å) Tl(1)-Al(1) bond lengths. Al(1) is bonded in a 8-coordinate geometry to two equivalent Pd(2), three equivalent Pd(1), and three equivalent Tl(1) atoms.