data_K4LaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4LaGe
_chemical_formula_sum   'K4 La1 Ge1'
_cell_volume   273.63
_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  0.46  0.46  0.84  1.0
  K  K2  1  0.46  0.84  0.46  1.0
  K  K3  1  0.84  0.46  0.46  1.0
  K  K4  1  0.84  0.84  0.84  1.0
  La  La5  1  0.73  0.73  0.73  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_K4LaGe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   17.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K4LaGe
_chemical_formula_sum   'K12 La3 Ge3'
_cell_volume   820.89
_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  9  0.08  0.54  0.08  1.0
  K  K1  3  0.0  0.0  0.16  1.0
  La  La2  3  0.0  0.0  0.27  1.0
  Ge  Ge3  3  0.0  0.0  0.0  1.0

K K K K La Ge
K4LaGe crystallizes in the trigonal R3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to two equivalent K(2), four equivalent K(1), one La(1), and two equivalent Ge(1) atoms. Both K(1)-K(2) bond lengths are 3.94 Å. There are two shorter (2.78 Å) and two longer (4.51 Å) K(1)-K(1) bond lengths. The K(1)-La(1) bond length is 2.97 Å. Both K(1)-Ge(1) bond lengths are 3.93 Å. In the second K site, K(2) is bonded in a linear geometry to six equivalent K(1), one La(1), and one Ge(1) atom. The K(2)-La(1) bond length is 2.04 Å. The K(2)-Ge(1) bond length is 2.80 Å. La(1) is bonded in a distorted single-bond geometry to one K(2) and three equivalent K(1) atoms. Ge(1) is bonded in a single-bond geometry to one K(2) and six equivalent K(1) atoms.