data_SmTlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTlZn
_chemical_formula_sum   'Sm2 Tl2 Zn2'
_cell_volume   147.02
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.0  0.0  0.0  1.0
  Sm  Sm1  1  0.0  0.0  0.77  1.0
  Tl  Tl2  1  0.0  0.74  0.65  1.0
  Tl  Tl3  1  0.37  0.37  0.88  1.0
  Zn  Zn4  1  0.0  0.74  0.88  1.0
  Zn  Zn5  1  0.37  0.37  0.65  1.0

data_SmTlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTlZn
_chemical_formula_sum   'Sm2 Tl2 Zn2'
_cell_volume   147.02
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.0  0.0  0.0  1.0
  Sm  Sm1  1  0.0  0.0  0.77  1.0
  Tl  Tl2  1  -0.0  0.74  0.65  1.0
  Tl  Tl3  1  0.37  0.37  0.88  1.0
  Zn  Zn4  1  -0.0  0.74  0.88  1.0
  Zn  Zn5  1  0.37  0.37  0.65  1.0

Sm Sm Tl Tl Zn Zn
Sm Sm Tl Tl Zn Zn 0 4 o - - 0 1 o o - 0 3 o o - 1 2 o - o 1 4 o - o 1 3 o o o 1 5 o o o 2 4 o o o 3 5 o o o 
SmZnTl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SmZnTl cluster. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 2-coordinate geometry to one Zn(1) and one Tl(2) atom. The Sm(1)-Zn(1) bond length is 1.51 Å. The Sm(1)-Tl(2) bond length is 1.98 Å. In the second Sm site, Sm(2) is bonded in a 4-coordinate geometry to one Zn(1), one Zn(2), one Tl(1), and one Tl(2) atom. The Sm(2)-Zn(1) bond length is 1.51 Å. The Sm(2)-Zn(2) bond length is 1.98 Å. The Sm(2)-Tl(1) bond length is 1.51 Å. The Sm(2)-Tl(2) bond length is 1.98 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to one Sm(1) and one Sm(2) atom. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to one Sm(2) and one Tl(2) atom. The Zn(2)-Tl(2) bond length is 1.77 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one Sm(2) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Sm(1), one Sm(2), and one Zn(2) atom.