data_KTa2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   153.76
_cell_angle_beta   124.5
_cell_angle_gamma   62.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Zn
_chemical_formula_sum   'K1 Ta2 Zn1'
_cell_volume   95.14
_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  0.0  0.14  1.0
  Ta  Ta1  1  0.45  0.0  0.49  1.0
  Ta  Ta2  1  0.0  0.0  0.69  1.0
  Zn  Zn3  1  0.45  0.0  0.12  1.0

data_KTa2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.97
_cell_length_c   6.41
_cell_angle_alpha   117.75
_cell_angle_beta   103.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Zn
_chemical_formula_sum   'K1 Ta2 Zn1'
_cell_volume   95.14
_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  0.14  0.14  1.0
  Ta  Ta1  1  0.0  0.49  0.04  1.0
  Ta  Ta2  1  0.0  0.69  0.69  1.0
  Zn  Zn3  1  0.0  0.12  0.66  1.0

K Ta Ta Zn
K Ta Ta Zn 0 0 o + + 0 3 o o o 0 2 o o - 0 1 o o o 1 1 o + + 1 2 + o o 1 3 o o o 2 3 - o o 2 3 o o + 2 2 o + + 3 3 o + + 
KTa2Zn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KTa2Zn cluster. K(1) is bonded in a 1-coordinate geometry to one Ta(1) and one Ta(2) atom. The K(1)-Ta(1) bond length is 2.47 Å. The K(1)-Ta(2) bond length is 2.89 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 Zn(1) atom. The Ta(1)-Zn(1) bond length is 2.43 Å. In the second Ta site, Ta(2) is bonded in a 2-coordinate geometry to one K(1) and one Zn(1) atom. The Ta(2)-Zn(1) bond length is 2.63 Å. Zn(1) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom.