data_KNaScNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaScNi
_chemical_formula_sum   'K1 Na1 Sc1 Ni1'
_cell_volume   99.41
_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
  K  K0  1  0.84  0.84  0.84  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.52  0.52  0.52  1.0
  Ni  Ni2  1  0.68  0.68  0.68  1.0

data_KNaScNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KNaScNi
_chemical_formula_sum   'K3 Na3 Sc3 Ni3'
_cell_volume   298.22
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  K  K0  3  0.0  0.0  0.16  1.0
  Na  Na1  3  0.0  0.0  0.0  1.0
  Sc  Sc2  3  0.0  0.0  0.48  1.0
  Ni  Ni3  3  0.0  0.0  0.32  1.0

K Na Sc Ni
KNaScNi crystallizes in the trigonal R3m space group. K(1) is bonded in a 1-coordinate geometry to one Na(1) and one Ni(1) atom. The K(1)-Na(1) bond length is 2.06 Å. The K(1)-Ni(1) bond length is 2.06 Å. Na(1) is bonded to one K(1) and three equivalent Ni(1) atoms to form distorted NaKNi3 trigonal pyramids that share  a cornercorner with one Ni(1)KNa3Sc trigonal bipyramid and corners with six equivalent Na(1)KNi3 trigonal pyramids. All Na(1)-Ni(1) bond lengths are 3.00 Å. Sc(1) is bonded in a distorted single-bond geometry to one Ni(1) atom. The Sc(1)-Ni(1) bond length is 2.06 Å. Ni(1) is bonded to one K(1), three equivalent Na(1), and one Sc(1) atom to form distorted NiKNa3Sc trigonal bipyramids that share corners with six equivalent Ni(1)KNa3Sc trigonal bipyramids and  a cornercorner with one Na(1)KNi3 trigonal pyramid.