data_KZrP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37
_cell_length_b   8.37
_cell_length_c   8.37
_cell_angle_alpha   156.45
_cell_angle_beta   155.47
_cell_angle_gamma   34.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrP2
_chemical_formula_sum   'K1 Zr1 P2'
_cell_volume   97.11
_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  0.86  1.0
  Zr  Zr3  1  0.0  0.78  0.71  1.0
  P  P1  1  0.0  0.78  0.67  1.0
  P  P2  1  0.0  0.0  0.76  1.0

data_KZrP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.56
_cell_length_c   8.37
_cell_angle_alpha   102.26
_cell_angle_beta   101.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrP2
_chemical_formula_sum   'K1 Zr1 P2'
_cell_volume   97.11
_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  0.14  0.14  0.14  1.0
  Zr  Zr1  1  0.29  0.07  0.07  1.0
  P  P2  1  0.24  0.24  0.24  1.0
  P  P3  1  0.33  0.11  0.11  1.0

K Zr P P
K Zr P P 0 2 o - o 0 1 o - o 0 3 o o o 1 2 o o o 
KZrP2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KZrP2 cluster. K(1) is bonded in a distorted water-like geometry to one P(1) and one P(2) atom. The K(1)-P(1) bond length is 0.75 Å. The K(1)-P(2) bond length is 0.85 Å. Zr(1) is bonded in a single-bond geometry to one P(1) atom. The Zr(1)-P(1) bond length is 0.32 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a water-like geometry to one K(1) and one Zr(1) atom. In the second P site, P(2) is bonded in a single-bond geometry to one K(1) atom.