data_TlPCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPCl2
_chemical_formula_sum   'Tl1 P1 Cl2'
_cell_volume   100.78
_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
  Tl  Tl3  1  0.0  0.0  0.64  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.7  0.0  0.53  1.0
  Cl  Cl1  1  0.7  0.0  0.76  1.0

data_TlPCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.61
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPCl2
_chemical_formula_sum   'Tl1 P1 Cl2'
_cell_volume   100.78
_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
  Tl  Tl0  1  0.0  0.0  0.64  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.7  0.53  1.0
  Cl  Cl3  1  0.0  0.7  0.76  1.0

Tl P Cl Cl
Tl P Cl Cl 0 2 - o o 0 3 - o o 1 3 - o - 
TlPCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TlPCl2 cluster. Tl(1) is bonded in an L-shaped geometry to one Cl(1) and one Cl(2) atom. The Tl(1)-Cl(1) bond length is 1.54 Å. The Tl(1)-Cl(2) bond length is 1.54 Å. P(1) is bonded in a single-bond geometry to one Cl(2) atom. The P(1)-Cl(2) bond length is 2.45 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Tl(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Tl(1) and one P(1) atom.