data_K2YbNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2YbNb
_chemical_formula_sum   'K2 Yb1 Nb1'
_cell_volume   167.02
_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  0.56  0.56  0.56  1.0
  K  K1  1  0.19  0.19  0.19  1.0
  Yb  Yb3  1  0.37  0.37  0.37  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0

data_K2YbNb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   15.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K2YbNb
_chemical_formula_sum   'K6 Yb3 Nb3'
_cell_volume   501.07
_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  0.44  1.0
  K  K1  3  0.0  0.0  0.81  1.0
  Yb  Yb2  3  0.0  0.0  0.63  1.0
  Nb  Nb3  3  0.0  0.0  0.0  1.0

K K Yb Nb
K2YbNb crystallizes in the trigonal R3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 1-coordinate geometry to one Yb(1) atom. The K(1)-Yb(1) bond length is 2.81 Å. In the second K site, K(2) is bonded in a linear geometry to one Yb(1) and one Nb(1) atom. The K(2)-Yb(1) bond length is 2.81 Å. The K(2)-Nb(1) bond length is 2.81 Å. Yb(1) is bonded in a 5-coordinate geometry to one K(1), one K(2), and three equivalent Nb(1) atoms. All Yb(1)-Nb(1) bond lengths are 3.61 Å. Nb(1) is bonded in a distorted single-bond geometry to one K(2) and three equivalent Yb(1) atoms.