data_SrTl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Cd
_chemical_formula_sum   'Sr1 Tl2 Cd1'
_cell_volume   121.43
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.5  0.42  1.0
  Tl  Tl3  1  0.5  0.0  0.42  1.0
  Cd  Cd0  1  0.5  0.5  0.0  1.0

data_SrTl2Cd
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   SrTl2Cd
_chemical_formula_sum   'Sr1 Tl2 Cd1'
_cell_volume   121.43
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.5  0.42  1.0
  Cd  Cd2  1  0.5  0.5  0.0  1.0

Sr Tl Tl Cd
SrCdTl2 crystallizes in the monoclinic Cm space group. Sr(1) is bonded to four equivalent Cd(1) and eight equivalent Tl(1) atoms to form a mixture of face and corner-sharing SrTl8Cd4 cuboctahedra. There are a spread of Sr(1)-Cd(1) bond distances ranging from 3.52-3.56 Å. There are a spread of Sr(1)-Tl(1) bond distances ranging from 3.23-3.76 Å. Cd(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Tl(1) atoms. There are two shorter (3.23 Å) and two longer (3.25 Å) Cd(1)-Tl(1) bond lengths. Tl(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Cd(1) atoms.