data_ScTlCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.96
_cell_angle_alpha   104.25
_cell_angle_beta   104.25
_cell_angle_gamma   40.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlCo2
_chemical_formula_sum   'Sc1 Tl1 Co2'
_cell_volume   65.37
_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  Sc2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.64  0.0  0.39  1.0
  Co  Co0  1  0.11  0.0  0.1  1.0
  Co  Co1  1  0.17  0.0  0.69  1.0

data_ScTlCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.58
_cell_length_c   4.96
_cell_angle_alpha   104.25
_cell_angle_beta   90.0
_cell_angle_gamma   110.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlCo2
_chemical_formula_sum   'Sc1 Tl1 Co2'
_cell_volume   65.37
_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  Sc0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.36  0.61  1.0
  Co  Co2  1  0.0  0.83  0.31  1.0
  Co  Co3  1  0.0  0.89  0.9  1.0

Sc Tl Co Co
ScCo2Tl crystallizes in the triclinic P1 space group. Sc(1) is bonded in a single-bond geometry to one Co(1), one Co(2), and two equivalent Tl(1) atoms. The Sc(1)-Co(1) bond length is 0.62 Å. The Sc(1)-Co(2) bond length is 1.89 Å. There is one shorter (2.85 Å) and one longer (3.05 Å) Sc(1)-Tl(1) bond length. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Sc(1) and three equivalent Tl(1) atoms. There are a spread of Co(1)-Tl(1) bond distances ranging from 2.49-3.32 Å. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one Sc(1) and three equivalent Tl(1) atoms. There are a spread of Co(2)-Tl(1) bond distances ranging from 2.49-3.32 Å. Tl(1) is bonded in a 10-coordinate geometry to two equivalent Sc(1), three equivalent Co(1), three equivalent Co(2), and two equivalent Tl(1) atoms. Both Tl(1)-Tl(1) bond lengths are 3.18 Å.