data_KZrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   2.71
_cell_angle_alpha   94.82
_cell_angle_beta   94.82
_cell_angle_gamma   124.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrW2
_chemical_formula_sum   'K1 Zr1 W2'
_cell_volume   80.12
_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
  Zr  Zr3  1  0.83  0.0  0.0  1.0
  W  W1  1  0.17  0.66  0.33  1.0
  W  W2  1  0.17  0.34  0.33  1.0

data_KZrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   5.65
_cell_length_c   6.02
_cell_angle_alpha   62.0
_cell_angle_beta   85.18
_cell_angle_gamma   79.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrW2
_chemical_formula_sum   'K1 Zr1 W2'
_cell_volume   80.12
_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
  Zr  Zr1  1  0.0  0.0  0.83  1.0
  W  W2  1  0.67  0.34  0.83  1.0
  W  W3  1  0.67  0.66  0.51  1.0

K Zr W W
KZrW2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 2-coordinate geometry to one Zr(1), two equivalent W(1), and two equivalent W(2) atoms. The K(1)-Zr(1) bond length is 1.05 Å. There is one shorter (2.94 Å) and one longer (3.26 Å) K(1)-W(1) bond length. There is one shorter (1.82 Å) and one longer (2.67 Å) K(1)-W(2) bond length. Zr(1) is bonded in a distorted single-bond geometry to one K(1), one W(2), and two equivalent W(1) atoms. The Zr(1)-W(2) bond length is 1.99 Å. There is one shorter (3.49 Å) and one longer (3.53 Å) Zr(1)-W(1) bond length. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent Zr(1), one W(2), and two equivalent W(1) atoms. The W(1)-W(2) bond length is 1.89 Å. Both W(1)-W(1) bond lengths are 2.71 Å. In the second W site, W(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Zr(1), and one W(1) atom.