data_Sc4Zn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Zn3
_chemical_formula_sum   'Sc4 Zn3'
_cell_volume   138.07
_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  0.21  1.0
  Sc  Sc1  1  0.0  0.0  0.41  1.0
  Sc  Sc2  1  0.0  0.08  0.0  1.0
  Sc  Sc3  1  0.66  0.54  0.0  1.0
  Zn  Zn4  1  0.66  0.0  0.81  1.0
  Zn  Zn5  1  0.67  0.31  0.81  1.0
  Zn  Zn6  1  0.33  0.31  0.81  1.0

data_Sc4Zn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Zn3
_chemical_formula_sum   'Sc4 Zn3'
_cell_volume   138.07
_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  0.21  1.0
  Sc  Sc1  1  0.0  0.0  0.41  1.0
  Sc  Sc2  1  0.0  0.08  -0.0  1.0
  Sc  Sc3  1  0.66  0.54  -0.0  1.0
  Zn  Zn4  1  0.33  0.31  0.81  1.0
  Zn  Zn5  1  0.66  0.0  0.81  1.0
  Zn  Zn6  1  0.67  0.31  0.81  1.0

Sc Sc Sc Sc Zn Zn Zn
Sc4Zn3 crystallizes in the triclinic P1 space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted bent 150 degrees geometry to one Sc(2) and one Sc(3) atom. The Sc(1)-Sc(2) bond length is 1.15 Å. The Sc(1)-Sc(3) bond length is 1.22 Å. In the second Sc site, Sc(2) is bonded in a 3-coordinate geometry to one Sc(1), one Zn(1), and one Zn(3) atom. The Sc(2)-Zn(1) bond length is 2.86 Å. The Sc(2)-Zn(3) bond length is 2.81 Å. In the third Sc site, Sc(3) is bonded in a distorted trigonal planar geometry to one Sc(1), one Zn(1), and one Zn(3) atom. The Sc(3)-Zn(1) bond length is 1.95 Å. The Sc(3)-Zn(3) bond length is 1.91 Å. In the fourth Sc site, Sc(4) is bonded in a 2-coordinate geometry to one Zn(1), one Zn(2), and one Zn(3) atom. The Sc(4)-Zn(1) bond length is 2.69 Å. The Sc(4)-Zn(2) bond length is 1.65 Å. The Sc(4)-Zn(3) bond length is 1.91 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one Sc(2), one Sc(3), one Sc(4), and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 1.63 Å. In the second Zn site, Zn(2) is bonded in a 3-coordinate geometry to one Sc(4), one Zn(1), and one Zn(3) atom. The Zn(2)-Zn(3) bond length is 1.79 Å. In the third Zn site, Zn(3) is bonded in a 4-coordinate geometry to one Sc(2), one Sc(3), one Sc(4), and one Zn(2) atom.