data_CaLaTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   3.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaTl2
_chemical_formula_sum   'Ca1 La1 Tl2'
_cell_volume   124.0
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.79  0.79  0.0  1.0
  Tl  Tl2  1  0.79  0.0  1.0  1.0
  Tl  Tl3  1  0.0  0.79  1.0  1.0

data_CaLaTl2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   3.99
_cell_length_b   7.88
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   CaLaTl2
_chemical_formula_sum   'Ca2 La2 Tl4'
_cell_volume   248.01
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  La  La1  2  0.0  0.0  0.79  1.0
  Tl  Tl2  4  0.0  0.11  0.89  1.0

Ca La Tl Tl
CaLaTl2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaLaTl2 clusters. Ca(1) is bonded in an L-shaped geometry to two equivalent Tl(1) atoms. Both Ca(1)-Tl(1) bond lengths are 1.19 Å. La(1) is bonded in an L-shaped geometry to two equivalent Tl(1) atoms. Both La(1)-Tl(1) bond lengths are 1.19 Å. Tl(1) is bonded in an L-shaped geometry to one Ca(1) and one La(1) atom.