data_AlTl2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.74
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Cr
_chemical_formula_sum   'Al1 Tl2 Cr1'
_cell_volume   79.48
_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  0.0  1.0
  Tl  Tl2  1  0.8  0.87  0.38  1.0
  Tl  Tl3  1  0.8  0.87  0.52  1.0
  Cr  Cr1  1  0.0  0.0  0.95  1.0

data_AlTl2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.74
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Cr
_chemical_formula_sum   'Al1 Tl2 Cr1'
_cell_volume   79.48
_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  0.0  1.0
  Tl  Tl1  1  0.8  0.87  0.38  1.0
  Tl  Tl2  1  0.8  0.87  0.52  1.0
  Cr  Cr3  1  0.0  0.0  0.95  1.0

Al Tl Tl Cr
Al Tl Tl Cr 0 3 o o - 1 2 o o o 
CrTl2Al is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CrTl2Al cluster. Cr(1) is bonded in a single-bond geometry to one Al(1) atom. The Cr(1)-Al(1) bond length is 0.29 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one Tl(2) and one Al(1) atom. The Tl(1)-Tl(2) bond length is 0.83 Å. The Tl(1)-Al(1) bond length is 2.40 Å. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one Tl(1) atom. Al(1) is bonded in a single-bond geometry to one Cr(1) and one Tl(1) atom.