data_NaZrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74
_cell_length_b   9.74
_cell_length_c   9.74
_cell_angle_alpha   18.69
_cell_angle_beta   18.69
_cell_angle_gamma   18.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrGe2
_chemical_formula_sum   'Na1 Zr1 Ge2'
_cell_volume   82.97
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.35  1.0
  Ge  Ge0  1  0.0  0.0  0.61  1.0
  Ge  Ge1  1  0.0  0.0  0.09  1.0

data_NaZrGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   3.16
_cell_length_c   9.74
_cell_angle_alpha   90.0
_cell_angle_beta   100.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaZrGe2
_chemical_formula_sum   'Na2 Zr2 Ge4'
_cell_volume   165.94
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Zr  Zr1  2  0.0  0.0  0.65  1.0
  Ge  Ge2  2  0.0  0.0  0.39  1.0
  Ge  Ge3  2  0.0  0.0  0.91  1.0

Na Zr Ge Ge
Na Zr Ge Ge 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 
NaZrGe2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaZrGe2 clusters. Na(1) is bonded in a single-bond geometry to one Ge(2) atom. The Na(1)-Ge(2) bond length is 0.92 Å. Zr(1) is bonded in a linear geometry to one Ge(1) and one Ge(2) atom. The Zr(1)-Ge(1) bond length is 2.52 Å. The Zr(1)-Ge(2) bond length is 2.52 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second Ge site, Ge(2) is bonded in a single-bond geometry to one Na(1) and one Zr(1) atom.