data_KZnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   7.29
_cell_angle_alpha   95.5
_cell_angle_beta   95.5
_cell_angle_gamma   40.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnGe2
_chemical_formula_sum   'K1 Zn1 Ge2'
_cell_volume   98.23
_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  0.91  0.0  0.65  1.0
  Zn  Zn3  1  0.61  0.0  0.06  1.0
  Ge  Ge0  1  0.84  0.0  0.14  1.0
  Ge  Ge1  1  0.24  0.0  0.27  1.0

data_KZnGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.57
_cell_length_c   7.29
_cell_angle_alpha   95.5
_cell_angle_beta   90.0
_cell_angle_gamma   110.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnGe2
_chemical_formula_sum   'K1 Zn1 Ge2'
_cell_volume   98.23
_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  K0  1  0.0  0.09  0.35  1.0
  Zn  Zn1  1  0.0  0.39  0.94  1.0
  Ge  Ge2  1  0.0  0.16  0.86  1.0
  Ge  Ge3  1  0.0  0.76  0.73  1.0

K Zn Ge Ge
K Zn Ge Ge 0 3 o o o 0 3 + o o 0 2 o o o 0 2 o o + 0 1 o o + 0 0 + - o 1 2 o o o 1 3 o o o 2 3 + o o 
KZnGe2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 7-coordinate geometry to two equivalent K(1), one Zn(1), two equivalent Ge(1), and two equivalent Ge(2) atoms. Both K(1)-K(1) bond lengths are 3.16 Å. The K(1)-Zn(1) bond length is 3.44 Å. There is one shorter (3.65 Å) and one longer (3.66 Å) K(1)-Ge(1) bond length. There is one shorter (3.25 Å) and one longer (3.88 Å) K(1)-Ge(2) bond length. Zn(1) is bonded in a distorted single-bond geometry to one K(1), one Ge(1), and one Ge(2) atom. The Zn(1)-Ge(1) bond length is 1.16 Å. The Zn(1)-Ge(2) bond length is 2.38 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a single-bond geometry to two equivalent K(1), one Zn(1), and one Ge(2) atom. The Ge(1)-Ge(2) bond length is 2.00 Å. In the second Ge site, Ge(2) is bonded in a 3-coordinate geometry to two equivalent K(1), one Zn(1), and one Ge(1) atom.