data_KCa2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa2P
_chemical_formula_sum   'K1 Ca2 P1'
_cell_volume   149.85
_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  K2  1  0.04  0.04  0.95  1.0
  Ca  Ca0  1  0.04  0.04  0.22  1.0
  Ca  Ca1  1  0.0  0.0  0.59  1.0
  P  P3  1  0.0  0.0  0.81  1.0

data_KCa2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KCa2P
_chemical_formula_sum   'K2 Ca4 P2'
_cell_volume   299.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.04  0.0  0.95  1.0
  Ca  Ca1  2  0.0  0.0  0.59  1.0
  Ca  Ca2  2  0.04  0.0  0.22  1.0
  P  P3  2  0.0  0.0  0.81  1.0

K Ca Ca P
KCa2P crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KCa2P clusters. K(1) is bonded in a single-bond geometry to one Ca(1) and one P(1) atom. The K(1)-Ca(1) bond length is 2.49 Å. The K(1)-P(1) bond length is 1.20 Å. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted single-bond geometry to one K(1) atom. In the second Ca site, Ca(2) is bonded in a single-bond geometry to one P(1) atom. The Ca(2)-P(1) bond length is 2.07 Å. P(1) is bonded in a linear geometry to one K(1) and one Ca(2) atom.