data_BaNa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Ge
_chemical_formula_sum   'Ba1 Na2 Ge1'
_cell_volume   138.79
_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
  Ba  Ba0  1  0.92  0.92  0.25  1.0
  Na  Na2  1  0.92  0.92  0.93  1.0
  Na  Na3  1  0.0  0.0  0.03  1.0
  Ge  Ge1  1  0.0  0.0  0.36  1.0

data_BaNa2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNa2Ge
_chemical_formula_sum   'Ba2 Na4 Ge2'
_cell_volume   277.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.42  0.5  0.25  1.0
  Na  Na1  2  0.0  0.0  0.03  1.0
  Na  Na2  2  0.42  0.5  0.93  1.0
  Ge  Ge3  2  0.0  0.0  0.36  1.0

Ba Na Na Ge
Ba Na Na Ge 0 3 + + o 1 2 + + + 
Na2BaGe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Na2BaGe clusters. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a single-bond geometry to one Na(2) atom. The Na(1)-Na(2) bond length is 1.03 Å. In the second Na site, Na(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one Ba(1) atom. The Na(2)-Ba(1) bond length is 2.14 Å. Ba(1) is bonded in a single-bond geometry to one Na(2) and one Ge(1) atom. The Ba(1)-Ge(1) bond length is 1.06 Å. Ge(1) is bonded in a single-bond geometry to one Ba(1) atom.