data_KBeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeGe
_chemical_formula_sum   'K1 Be1 Ge1'
_cell_volume   77.44
_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  K2  1  0.38  0.38  0.38  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.07  0.07  0.07  1.0

data_KBeGe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   11.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KBeGe
_chemical_formula_sum   'K3 Be3 Ge3'
_cell_volume   232.33
_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  0.62  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Ge  Ge2  3  0.0  0.0  0.93  1.0

K Be Ge
K Be Ge 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o o + 0 1 o + o 0 1 + o o 1 2 o o o 
KBeGe crystallizes in the trigonal R3m space group. K(1) is bonded to three equivalent Be(1) and four equivalent Ge(1) atoms to form a mixture of corner and edge-sharing KBe3Ge4 hexagonal pyramids. All K(1)-Be(1) bond lengths are 2.82 Å. There are three shorter (2.78 Å) and one longer (3.61 Å) K(1)-Ge(1) bond length. Be(1) is bonded in a single-bond geometry to three equivalent K(1) and one Ge(1) atom. The Be(1)-Ge(1) bond length is 0.87 Å. Ge(1) is bonded in a single-bond geometry to four equivalent K(1) and one Be(1) atom.