data_TlGe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGe2Pd
_chemical_formula_sum   'Tl1 Ge2 Pd1'
_cell_volume   80.3
_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
  Tl  Tl3  1  0.71  0.71  0.71  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.14  0.14  0.14  1.0
  Pd  Pd2  1  0.42  0.42  0.42  1.0

data_TlGe2Pd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   11.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlGe2Pd
_chemical_formula_sum   'Tl3 Ge6 Pd3'
_cell_volume   240.91
_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
  Tl  Tl0  3  0.0  0.0  0.29  1.0
  Ge  Ge1  3  0.0  0.0  0.0  1.0
  Ge  Ge2  3  0.0  0.0  0.86  1.0
  Pd  Pd3  3  0.0  0.0  0.58  1.0

Tl Ge Ge Pd
PdTlGe2 crystallizes in the trigonal R3m space group. Pd(1) is bonded in a 10-coordinate geometry to four equivalent Tl(1), three equivalent Ge(1), and three equivalent Ge(2) atoms. There are three shorter (2.85 Å) and one longer (3.41 Å) Pd(1)-Tl(1) bond length. All Pd(1)-Ge(1) bond lengths are 3.00 Å. All Pd(1)-Ge(2) bond lengths are 2.85 Å. Tl(1) is bonded in a 10-coordinate geometry to four equivalent Pd(1), three equivalent Ge(1), and three equivalent Ge(2) atoms. All Tl(1)-Ge(1) bond lengths are 2.85 Å. All Tl(1)-Ge(2) bond lengths are 3.00 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted single-bond geometry to three equivalent Pd(1), three equivalent Tl(1), and one Ge(2) atom. The Ge(1)-Ge(2) bond length is 1.62 Å. In the second Ge site, Ge(2) is bonded in a distorted single-bond geometry to three equivalent Pd(1), three equivalent Tl(1), and one Ge(1) atom.