data_CaTl2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   4.67
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTl2Os
_chemical_formula_sum   'Ca1 Tl2 Os1'
_cell_volume   96.44
_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  0.42  0.0  0.07  1.0
  Tl  Tl2  1  0.34  0.0  0.6  1.0
  Tl  Tl3  1  0.26  0.34  0.29  1.0
  Os  Os1  1  0.14  0.34  0.12  1.0

data_CaTl2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.67
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTl2Os
_chemical_formula_sum   'Ca1 Tl2 Os1'
_cell_volume   96.44
_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  0.42  0.0  0.07  1.0
  Tl  Tl1  1  0.26  0.34  0.29  1.0
  Tl  Tl2  1  0.34  0.0  0.6  1.0
  Os  Os3  1  0.14  0.34  0.12  1.0

Ca Tl Tl Os
Ca Tl Tl Os 0 3 o o o 0 2 o o o 0 1 o o - 1 2 o o o 2 3 o o o 
CaOsTl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaOsTl2 cluster. Ca(1) is bonded in a 1-coordinate geometry to one Os(1) and one Tl(1) atom. The Ca(1)-Os(1) bond length is 1.94 Å. The Ca(1)-Tl(1) bond length is 2.74 Å. Os(1) is bonded in a 1-coordinate geometry to one Ca(1) and one Tl(2) atom. The Os(1)-Tl(2) bond length is 0.96 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one Ca(1) atom. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Os(1) atom.