data_TlCdOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdOs2
_chemical_formula_sum   'Tl1 Cd1 Os2'
_cell_volume   70.38
_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
  Tl  Tl3  1  0.0  0.0  0.27  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.64  0.64  0.64  1.0
  Os  Os2  1  0.64  0.64  0.91  1.0

data_TlCdOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCdOs2
_chemical_formula_sum   'Tl2 Cd2 Os4'
_cell_volume   140.76
_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
  Tl  Tl0  2  0.0  0.0  0.27  1.0
  Cd  Cd1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.14  0.5  0.64  1.0
  Os  Os3  2  0.14  0.5  0.91  1.0

Tl Cd Os Os
Os2CdTl crystallizes in the monoclinic Cm space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 2-coordinate geometry to one Os(2) and one Tl(1) atom. The Os(1)-Os(2) bond length is 1.78 Å. The Os(1)-Tl(1) bond length is 2.91 Å. In the second Os site, Os(2) is bonded in a 1-coordinate geometry to one Os(1) and three equivalent Cd(1) atoms. There is one shorter (1.78 Å) and two longer (2.48 Å) Os(2)-Cd(1) bond lengths. Cd(1) is bonded in a 4-coordinate geometry to three equivalent Os(2) and one Tl(1) atom. The Cd(1)-Tl(1) bond length is 1.78 Å. Tl(1) is bonded in a 2-coordinate geometry to one Os(1) and one Cd(1) atom.