data_LaTl2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Cr
_chemical_formula_sum   'La1 Tl2 Cr1'
_cell_volume   98.76
_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  La1  1  0.25  0.25  0.0  1.0
  Tl  Tl2  1  0.25  0.0  0.44  1.0
  Tl  Tl3  1  0.0  0.25  0.44  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_LaTl2Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTl2Cr
_chemical_formula_sum   'La2 Tl4 Cr2'
_cell_volume   197.52
_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
  La  La0  2  0.25  0.0  0.0  1.0
  Tl  Tl1  4  0.12  0.12  0.44  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0

La Tl Tl Cr
La Tl Tl Cr 0 3 o o o 1 2 o o o 
LaCrTl2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaCrTl2 clusters. La(1) is bonded in a single-bond geometry to one Cr(1) and two equivalent Tl(1) atoms. The La(1)-Cr(1) bond length is 1.57 Å. Both La(1)-Tl(1) bond lengths are 2.44 Å. Cr(1) is bonded in a single-bond geometry to one La(1) atom. Tl(1) is bonded in a 2-coordinate geometry to one La(1) and one Tl(1) atom. The Tl(1)-Tl(1) bond length is 1.57 Å.