data_KNb2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   7.38
_cell_angle_alpha   95.12
_cell_angle_beta   95.12
_cell_angle_gamma   32.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2Zn
_chemical_formula_sum   'K1 Nb2 Zn1'
_cell_volume   100.14
_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  0.18  0.0  0.93  1.0
  Nb  Nb1  1  0.92  0.0  0.49  1.0
  Nb  Nb2  1  0.81  0.0  0.74  1.0
  Zn  Zn3  1  0.69  0.0  0.2  1.0

data_KNb2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.06
_cell_length_c   7.38
_cell_angle_alpha   95.12
_cell_angle_beta   90.0
_cell_angle_gamma   106.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2Zn
_chemical_formula_sum   'K1 Nb2 Zn1'
_cell_volume   100.14
_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  0.82  0.07  1.0
  Nb  Nb1  1  0.0  0.08  0.51  1.0
  Nb  Nb2  1  0.0  0.19  0.26  1.0
  Zn  Zn3  1  0.0  0.31  0.8  1.0

K Nb Nb Zn
KNb2Zn crystallizes in the triclinic P1 space group. K(1) is bonded in a distorted single-bond geometry to one Nb(2) and two equivalent Zn(1) atoms. The K(1)-Nb(2) bond length is 2.21 Å. There is one shorter (3.12 Å) and one longer (3.31 Å) K(1)-Zn(1) bond length. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 2-coordinate geometry to one Nb(2) and one Zn(1) atom. The Nb(1)-Nb(2) bond length is 1.97 Å. The Nb(1)-Zn(1) bond length is 2.36 Å. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to one K(1) and one Nb(1) atom. Zn(1) is bonded in a 5-coordinate geometry to two equivalent K(1), one Nb(1), and two equivalent Zn(1) atoms. Both Zn(1)-Zn(1) bond lengths are 2.80 Å.