data_Rb3BaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3BaGe
_chemical_formula_sum   'Rb3 Ba1 Ge1'
_cell_volume   346.2
_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
  Rb  Rb2  1  0.0  0.51  0.0  1.0
  Rb  Rb3  1  0.0  0.0  0.51  1.0
  Rb  Rb4  1  0.51  0.0  0.0  1.0
  Ba  Ba1  1  0.51  0.51  0.51  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Rb3BaGe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.93
_cell_length_b   9.93
_cell_length_c   12.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Rb3BaGe
_chemical_formula_sum   'Rb9 Ba3 Ge3'
_cell_volume   1038.59
_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
  Rb  Rb0  9  0.01  0.5  0.5  1.0
  Ba  Ba1  3  0.0  0.0  0.51  1.0
  Ge  Ge2  3  0.0  0.0  0.0  1.0

Rb Rb Rb Ba Ge
Rb Rb Rb Ba Ge 0 4 o o o 0 4 o + o 0 3 o o o 0 3 o o - 0 3 - o o 0 3 - o - 1 4 o o o 1 4 o o + 1 3 o o o 1 3 o - o 1 3 - o o 1 3 - - o 2 4 o o o 2 4 + o o 2 3 o o o 2 3 o o - 2 3 o - o 2 3 o - - 
Rb3BaGe is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Rb(1) is bonded in a linear geometry to four equivalent Ba(1) and two equivalent Ge(1) atoms. There are a spread of Rb(1)-Ba(1) bond distances ranging from 4.86-5.07 Å. There is one shorter (3.43 Å) and one longer (3.59 Å) Rb(1)-Ge(1) bond length. Ba(1) is bonded to twelve equivalent Rb(1) atoms to form BaRb12 cuboctahedra that share corners with twelve equivalent Ba(1)Rb12 cuboctahedra, faces with six equivalent Ba(1)Rb12 cuboctahedra, and faces with eight equivalent Ge(1)Rb6 octahedra. Ge(1) is bonded to six equivalent Rb(1) atoms to form GeRb6 octahedra that share corners with six equivalent Ge(1)Rb6 octahedra and faces with eight equivalent Ba(1)Rb12 cuboctahedra. The corner-sharing octahedra are not tilted.