data_CaTl2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTl2Pt
_chemical_formula_sum   'Ca1 Tl2 Pt1'
_cell_volume   102.77
_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  0.4  1.0
  Tl  Tl2  1  0.0  0.0  0.62  1.0
  Tl  Tl3  1  0.8  0.8  0.99  1.0
  Pt  Pt1  1  0.8  0.8  0.93  1.0

data_CaTl2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTl2Pt
_chemical_formula_sum   'Ca2 Tl4 Pt2'
_cell_volume   205.55
_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
  Ca  Ca0  2  0.0  0.0  0.4  1.0
  Tl  Tl1  2  0.0  0.0  0.62  1.0
  Tl  Tl2  2  0.3  0.5  0.99  1.0
  Pt  Pt3  2  0.3  0.5  0.93  1.0

Ca Tl Tl Pt
Ca Tl Tl Pt 0 1 o o o 2 3 o o o 
CaPtTl2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaPtTl2 clusters. Ca(1) is bonded in a single-bond geometry to one Tl(1) atom. The Ca(1)-Tl(1) bond length is 1.75 Å. Pt(1) is bonded in a single-bond geometry to one Tl(1) and one Tl(2) atom. The Pt(1)-Tl(1) bond length is 2.68 Å. The Pt(1)-Tl(2) bond length is 0.46 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Pt(1) atom. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Pt(1) atom.