data_Sc2TaZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.07
_cell_angle_alpha   110.16
_cell_angle_beta   110.16
_cell_angle_gamma   32.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TaZn
_chemical_formula_sum   'Sc2 Ta1 Zn1'
_cell_volume   79.22
_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  0.17  0.0  0.32  1.0
  Sc  Sc1  1  0.27  0.0  0.31  1.0
  Ta  Ta2  1  0.12  0.0  0.5  1.0
  Zn  Zn3  1  0.85  0.0  0.97  1.0

data_Sc2TaZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.07
_cell_length_c   5.6
_cell_angle_alpha   110.16
_cell_angle_beta   106.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TaZn
_chemical_formula_sum   'Sc2 Ta1 Zn1'
_cell_volume   79.22
_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  0.31  0.27  1.0
  Sc  Sc1  1  0.0  0.32  0.17  1.0
  Ta  Ta2  1  0.0  0.5  0.12  1.0
  Zn  Zn3  1  0.0  0.97  0.85  1.0

Sc Sc Ta Zn
Sc Sc Ta Zn 0 1 o o o 0 2 o o o 0 3 - o - 1 3 - o - 
Sc2TaZn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sc2TaZn cluster. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted trigonal planar geometry to one Sc(2), one Ta(1), and one Zn(1) atom. The Sc(1)-Sc(2) bond length is 0.56 Å. The Sc(1)-Ta(1) bond length is 1.06 Å. The Sc(1)-Zn(1) bond length is 2.01 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Sc(1) atom. Ta(1) is bonded in a single-bond geometry to one Sc(1) atom. Zn(1) is bonded in a single-bond geometry to one Sc(1) atom.