data_ScTl2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72
_cell_length_b   8.72
_cell_length_c   8.72
_cell_angle_alpha   22.49
_cell_angle_beta   22.49
_cell_angle_gamma   22.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2Co
_chemical_formula_sum   'Sc1 Tl2 Co1'
_cell_volume   85.1
_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
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.0  0.4  1.0
  Tl  Tl3  1  0.0  0.0  0.09  1.0
  Co  Co0  1  0.0  0.0  0.74  1.0

data_ScTl2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   3.4
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   103.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTl2Co
_chemical_formula_sum   'Sc2 Tl4 Co2'
_cell_volume   170.19
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.6  1.0
  Tl  Tl2  2  0.0  0.0  0.91  1.0
  Co  Co3  2  0.0  0.0  0.26  1.0

Sc Tl Tl Co
ScCoTl2 crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a distorted single-bond geometry to one Co(1) and one Tl(2) atom. The Sc(1)-Co(1) bond length is 2.24 Å. The Sc(1)-Tl(2) bond length is 0.78 Å. Co(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Tl(1) atom. The Co(1)-Tl(1) bond length is 3.02 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 8-coordinate geometry to one Co(1), one Tl(2), and six equivalent Tl(1) atoms. The Tl(1)-Tl(2) bond length is 2.69 Å. All Tl(1)-Tl(1) bond lengths are 3.40 Å. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Sc(1) and one Tl(1) atom.