data_KSc2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Rh
_chemical_formula_sum   'K1 Sc2 Rh1'
_cell_volume   91.4
_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  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.58  0.58  0.58  1.0
  Sc  Sc3  1  0.79  0.79  0.79  1.0
  Rh  Rh1  1  0.36  0.36  0.36  1.0

data_KSc2Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   12.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KSc2Rh
_chemical_formula_sum   'K3 Sc6 Rh3'
_cell_volume   274.19
_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  0.0  1.0
  Sc  Sc1  3  0.0  0.0  0.21  1.0
  Sc  Sc2  3  0.0  0.0  0.42  1.0
  Rh  Rh3  3  0.0  0.0  0.64  1.0

K Sc Sc Rh
K Sc Sc Rh 0 2 - - - 0 2 - - o 0 2 o - - 0 2 - o - 0 1 - - o 0 1 - o - 0 1 o - - 0 3 - o o 0 3 o - o 0 3 o o - 1 3 o o o 1 3 o o + 1 3 + o o 1 3 o + o 1 2 o - o 1 2 - o o 1 2 o o - 1 2 o o o 2 3 o o + 2 3 o + o 2 3 + o o 
KSc2Rh crystallizes in the trigonal R3m space group. K(1) is bonded in a 10-coordinate geometry to three equivalent Sc(1), four equivalent Sc(2), and three equivalent Rh(1) atoms. All K(1)-Sc(1) bond lengths are 3.13 Å. There is one shorter (2.63 Å) and three longer (3.28 Å) K(1)-Sc(2) bond lengths. All K(1)-Rh(1) bond lengths are 2.94 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and four equivalent Rh(1) atoms. There is one shorter (2.63 Å) and three longer (3.28 Å) Sc(1)-Rh(1) bond lengths. In the second Sc site, Sc(2) is bonded in a 1-coordinate geometry to four equivalent K(1) and three equivalent Rh(1) atoms. All Sc(2)-Rh(1) bond lengths are 3.13 Å. Rh(1) is bonded in a 10-coordinate geometry to three equivalent K(1), three equivalent Sc(2), and four equivalent Sc(1) atoms.