data_NaSc2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   120.69
_cell_angle_beta   120.69
_cell_angle_gamma   88.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSc2Zn
_chemical_formula_sum   'Na1 Sc2 Zn1'
_cell_volume   86.86
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.47  0.0  0.78  1.0
  Sc  Sc2  1  0.0  0.47  0.78  1.0
  Zn  Zn3  1  0.0  0.0  0.56  1.0

data_NaSc2Zn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   134.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaSc2Zn
_chemical_formula_sum   'Na2 Sc4 Zn2'
_cell_volume   173.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Sc  Sc1  4  0.27  0.27  0.31  1.0
  Zn  Zn2  2  0.0  0.0  0.56  1.0

Na Sc Sc Zn
NaSc2Zn crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent Sc(1) and two equivalent Zn(1) atoms. Both Na(1)-Sc(1) bond lengths are 2.30 Å. There is one shorter (2.17 Å) and one longer (2.81 Å) Na(1)-Zn(1) bond length. Sc(1) is bonded in a linear geometry to one Na(1) and one Zn(1) atom. The Sc(1)-Zn(1) bond length is 2.01 Å. Zn(1) is bonded in a distorted see-saw-like geometry to two equivalent Na(1) and two equivalent Sc(1) atoms.