data_K2ZrTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   9.96
_cell_angle_alpha   91.2
_cell_angle_beta   91.2
_cell_angle_gamma   33.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrTa
_chemical_formula_sum   'K2 Zr1 Ta1'
_cell_volume   148.52
_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  0.05  0.0  0.62  1.0
  K  K1  1  0.24  0.0  0.84  1.0
  Zr  Zr3  1  0.48  0.0  0.35  1.0
  Ta  Ta2  1  0.74  0.0  0.13  1.0

data_K2ZrTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.17
_cell_length_c   9.96
_cell_angle_alpha   91.2
_cell_angle_beta   90.0
_cell_angle_gamma   106.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrTa
_chemical_formula_sum   'K2 Zr1 Ta1'
_cell_volume   148.52
_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  0.76  0.16  1.0
  K  K1  1  0.0  0.95  0.38  1.0
  Zr  Zr2  1  0.0  0.52  0.65  1.0
  Ta  Ta3  1  0.0  0.26  0.87  1.0

K K Zr Ta
K2ZrTa crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), and two equivalent Zr(1) atoms. The K(1)-K(2) bond length is 2.46 Å. Both K(1)-K(1) bond lengths are 3.01 Å. There is one shorter (3.52 Å) and one longer (3.90 Å) K(1)-Zr(1) bond length. In the second K site, K(2) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), and two equivalent Ta(1) atoms. Both K(2)-K(2) bond lengths are 3.01 Å. There is one shorter (3.80 Å) and one longer (3.89 Å) K(2)-Ta(1) bond length. Zr(1) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent Zr(1), and one Ta(1) atom. Both Zr(1)-Zr(1) bond lengths are 3.01 Å. The Zr(1)-Ta(1) bond length is 2.61 Å. Ta(1) is bonded in a 5-coordinate geometry to two equivalent K(2), one Zr(1), and two equivalent Ta(1) atoms. Both Ta(1)-Ta(1) bond lengths are 3.01 Å.