data_La3TlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3TlIr
_chemical_formula_sum   'La3 Tl1 Ir1'
_cell_volume   202.22
_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
  La  La2  1  0.93  0.0  0.93  1.0
  La  La3  1  0.93  0.93  0.0  1.0
  La  La4  1  0.0  0.93  0.93  1.0
  Tl  Tl0  1  0.93  0.93  0.93  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0

data_La3TlIr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.3
_cell_length_b   8.3
_cell_length_c   10.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La3TlIr
_chemical_formula_sum   'La9 Tl3 Ir3'
_cell_volume   606.67
_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
  La  La0  9  0.04  0.02  0.96  1.0
  Tl  Tl1  3  0.0  0.0  0.93  1.0
  Ir  Ir2  3  0.0  0.0  0.0  1.0

La La La Tl Ir
La3IrTl is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three La3IrTl clusters. La(1) is bonded in an L-shaped geometry to one Ir(1) and one Tl(1) atom. The La(1)-Ir(1) bond length is 0.54 Å. The La(1)-Tl(1) bond length is 0.38 Å. Ir(1) is bonded in a 3-coordinate geometry to three equivalent La(1) atoms. Tl(1) is bonded in a distorted T-shaped geometry to three equivalent La(1) atoms.