data_Na2ZnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   78.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnGe
_chemical_formula_sum   'Na4 Zn2 Ge2'
_cell_volume   174.49
_cell_formula_units_Z   2
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  0.05  0.04  0.03  1.0
  Na  Na3  1  0.89  0.96  0.34  1.0
  Na  Na4  1  0.05  0.96  0.34  1.0
  Na  Na5  1  0.89  0.04  0.03  1.0
  Zn  Zn6  1  0.0  0.0  0.68  1.0
  Zn  Zn7  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.47  0.4  0.03  1.0
  Ge  Ge1  1  0.47  0.6  0.34  1.0

data_Na2ZnGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.37
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   101.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnGe
_chemical_formula_sum   'Na4 Zn2 Ge2'
_cell_volume   174.49
_cell_formula_units_Z   2
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  Na0  1  0.66  0.05  0.04  1.0
  Na  Na1  1  0.66  0.89  0.04  1.0
  Na  Na2  1  0.97  0.05  0.96  1.0
  Na  Na3  1  0.97  0.89  0.96  1.0
  Zn  Zn4  1  0.0  0.0  0.0  1.0
  Zn  Zn5  1  0.32  0.0  0.0  1.0
  Ge  Ge6  1  0.66  0.47  0.4  1.0
  Ge  Ge7  1  0.97  0.47  0.6  1.0

Na Na Na Na Zn Zn Ge Ge
Na Na Na Na Zn Zn Ge Ge 0 5 o o o 0 4 o o - 1 2 + o o 1 4 + + o 2 4 o + o 3 5 + o o 3 4 + o - 4 5 o o + 6 7 o o o 
Na2ZnGe crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a single-bond geometry to one Zn(1), one Zn(2), and one Ge(1) atom. The Na(1)-Zn(1) bond length is 1.88 Å. The Na(1)-Zn(2) bond length is 0.41 Å. The Na(1)-Ge(1) bond length is 3.49 Å. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Zn(1), and one Ge(2) atom. The Na(2)-Na(3) bond length is 0.90 Å. The Na(2)-Na(4) bond length is 1.76 Å. The Na(2)-Zn(1) bond length is 1.96 Å. The Na(2)-Ge(2) bond length is 3.49 Å. In the third Na site, Na(3) is bonded in a 3-coordinate geometry to one Na(2), one Zn(1), and one Ge(2) atom. The Na(3)-Zn(1) bond length is 1.86 Å. The Na(3)-Ge(2) bond length is 2.85 Å. In the fourth Na site, Na(4) is bonded in a single-bond geometry to one Na(2), one Zn(1), one Zn(2), and one Ge(1) atom. The Na(4)-Zn(1) bond length is 1.93 Å. The Na(4)-Zn(2) bond length is 0.63 Å. The Na(4)-Ge(1) bond length is 2.85 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 1.70 Å. In the second Zn site, Zn(2) is bonded in a bent 120 degrees geometry to one Na(1), one Na(4), and one Zn(1) atom. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(4), and one Ge(2) atom. The Ge(1)-Ge(2) bond length is 2.07 Å. In the second Ge site, Ge(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(2), one Na(3), and one Ge(1) atom.