data_ScZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   147.45
_cell_angle_beta   65.13
_cell_angle_gamma   125.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn3
_chemical_formula_sum   'Sc1 Zn3'
_cell_volume   69.84
_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  0.12  1.0
  Zn  Zn1  1  0.52  0.39  0.75  1.0
  Zn  Zn2  1  0.0  0.58  0.03  1.0
  Zn  Zn3  1  0.0  0.2  0.25  1.0

data_ScZn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.0
_cell_length_c   5.44
_cell_angle_alpha   117.36
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn3
_chemical_formula_sum   'Sc1 Zn3'
_cell_volume   69.84
_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  0.12  0.12  0.12  1.0
  Zn  Zn1  1  0.03  0.45  0.45  1.0
  Zn  Zn2  1  0.25  0.06  0.06  1.0
  Zn  Zn3  1  0.75  0.37  0.89  1.0

Sc Zn Zn Zn
ScZn3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScZn3 cluster. Sc(1) is bonded in a distorted single-bond geometry to one Zn(1), one Zn(2), and one Zn(3) atom. The Sc(1)-Zn(1) bond length is 2.23 Å. The Sc(1)-Zn(2) bond length is 1.86 Å. The Sc(1)-Zn(3) bond length is 0.61 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Sc(1) atom. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Sc(1) atom. In the third Zn site, Zn(3) is bonded in a single-bond geometry to one Sc(1) atom.