data_KTa2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   121.13
_cell_angle_beta   121.13
_cell_angle_gamma   88.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Zn
_chemical_formula_sum   'K1 Ta2 Zn1'
_cell_volume   82.0
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.41  0.0  0.76  1.0
  Ta  Ta2  1  0.0  0.0  0.53  1.0
  Zn  Zn3  1  0.0  0.41  0.76  1.0

data_KTa2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.91
_cell_angle_alpha   119.43
_cell_angle_beta   119.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Zn
_chemical_formula_sum   'K1 Ta2 Zn1'
_cell_volume   82.0
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.53  0.53  0.53  1.0
  Ta  Ta2  1  0.76  0.35  0.35  1.0
  Zn  Zn3  1  0.35  0.76  0.35  1.0

K Ta Ta Zn
KTa2Zn crystallizes in the triclinic P1 space group. K(1) is bonded in a 4-coordinate geometry to one Ta(1), two equivalent Ta(2), and one Zn(1) atom. The K(1)-Ta(1) bond length is 2.50 Å. There is one shorter (2.32 Å) and one longer (2.59 Å) K(1)-Ta(2) bond length. The K(1)-Zn(1) bond length is 2.50 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 2-coordinate geometry to one K(1) and one Ta(2) atom. The Ta(1)-Ta(2) bond length is 1.73 Å. In the second Ta site, Ta(2) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one Ta(1), and one Zn(1) atom. The Ta(2)-Zn(1) bond length is 1.73 Å. Zn(1) is bonded in a 2-coordinate geometry to one K(1) and one Ta(2) atom.