data_KVCuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KVCuRh
_chemical_formula_sum   'K1 V1 Cu1 Rh1'
_cell_volume   66.46
_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  K1  1  0.0  0.0  0.0  1.0
  V  V3  1  0.61  0.61  0.61  1.0
  Cu  Cu0  1  0.21  0.21  0.21  1.0
  Rh  Rh2  1  0.82  0.82  0.82  1.0

data_KVCuRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KVCuRh
_chemical_formula_sum   'K3 V3 Cu3 Rh3'
_cell_volume   199.38
_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
  V  V1  3  0.0  0.0  0.39  1.0
  Cu  Cu2  3  0.0  0.0  0.79  1.0
  Rh  Rh3  3  0.0  0.0  0.18  1.0

K V Cu Rh
K V Cu Rh 0 3 - - - 0 2 o o o 0 2 o o - 0 2 - o o 0 2 o - o 0 1 o - - 0 1 - o - 0 1 - - o 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 1 2 o o + 1 2 o + o 1 2 + o o 2 3 - - o 2 3 - o - 2 3 o - - 
KVRhCu crystallizes in the trigonal R3m space group. K(1) is bonded in a 1-coordinate geometry to three equivalent V(1), one Rh(1), and one Cu(1) atom. All K(1)-V(1) bond lengths are 2.71 Å. The K(1)-Rh(1) bond length is 1.98 Å. The K(1)-Cu(1) bond length is 2.39 Å. V(1) is bonded in a 10-coordinate geometry to three equivalent K(1), four equivalent Rh(1), and three equivalent Cu(1) atoms. There is one shorter (2.39 Å) and three longer (2.94 Å) V(1)-Rh(1) bond lengths. All V(1)-Cu(1) bond lengths are 2.71 Å. Rh(1) is bonded in a 1-coordinate geometry to one K(1) and four equivalent V(1) atoms. Cu(1) is bonded in a distorted single-bond geometry to one K(1) and three equivalent V(1) atoms.