data_KTl2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2P
_chemical_formula_sum   'K1 Tl2 P1'
_cell_volume   112.97
_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  0.39  0.39  0.0  1.0
  Tl  Tl2  1  0.0  0.39  0.47  1.0
  Tl  Tl3  1  0.39  0.0  0.47  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_KTl2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTl2P
_chemical_formula_sum   'K2 Tl4 P2'
_cell_volume   225.93
_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  0.39  0.0  -0.0  1.0
  Tl  Tl1  4  0.2  0.2  0.47  1.0
  P  P2  2  0.0  0.0  0.0  1.0

K Tl Tl P
KTl2P crystallizes in the monoclinic Cm space group. K(1) is bonded in a 1-coordinate geometry to eight equivalent Tl(1) and one P(1) atom. There are a spread of K(1)-Tl(1) bond distances ranging from 2.98-3.92 Å. The K(1)-P(1) bond length is 2.65 Å. Tl(1) is bonded in a 9-coordinate geometry to four equivalent K(1), three equivalent Tl(1), and two equivalent P(1) atoms. There is one shorter (2.65 Å) and two longer (3.46 Å) Tl(1)-Tl(1) bond lengths. There is one shorter (2.98 Å) and one longer (3.22 Å) Tl(1)-P(1) bond length. P(1) is bonded in a 1-coordinate geometry to one K(1) and four equivalent Tl(1) atoms.