data_Sc2TlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlPt
_chemical_formula_sum   'Sc2 Tl1 Pt1'
_cell_volume   83.45
_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  0.43  0.0  0.28  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.43  0.0  0.31  1.0
  Pt  Pt0  1  0.0  0.0  0.42  1.0

data_Sc2TlPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlPt
_chemical_formula_sum   'Sc2 Tl1 Pt1'
_cell_volume   83.45
_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
  Sc  Sc1  1  0.43  0.0  0.28  1.0
  Tl  Tl2  1  0.43  0.0  0.31  1.0
  Pt  Pt3  1  0.0  0.0  0.42  1.0

Sc Sc Tl Pt
Sc Sc Tl Pt 0 2 o o o 0 1 + o o 0 1 o o o 0 3 o o o 1 2 - o o 1 2 o o o 1 3 o o o 2 3 o o o 
Sc2PtTl crystallizes in the triclinic P1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to two equivalent Sc(2) and one Tl(1) atom. There is one shorter (2.39 Å) and one longer (2.72 Å) Sc(1)-Sc(2) bond length. The Sc(1)-Tl(1) bond length is 0.20 Å. In the second Sc site, Sc(2) is bonded in a 8-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), and two equivalent Pt(1) atoms. All Sc(2)-Sc(2) bond lengths are 3.54 Å. There is one shorter (2.82 Å) and one longer (3.85 Å) Sc(2)-Pt(1) bond length. Pt(1) is bonded in a 2-coordinate geometry to two equivalent Sc(2) and two equivalent Tl(1) atoms. There is one shorter (1.73 Å) and one longer (2.15 Å) Pt(1)-Tl(1) bond length. Tl(1) is bonded in a single-bond geometry to one Sc(1) and two equivalent Pt(1) atoms.