data_Ta2PCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   151.89
_cell_angle_beta   149.26
_cell_angle_gamma   42.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PCl
_chemical_formula_sum   'Ta2 P1 Cl1'
_cell_volume   78.74
_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
  Ta  Ta2  1  0.67  0.0  0.06  1.0
  Ta  Ta3  1  0.0  0.0  0.15  1.0
  P  P1  1  0.0  0.0  0.13  1.0
  Cl  Cl0  1  0.67  0.0  0.96  1.0

data_Ta2PCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.66
_cell_length_c   6.89
_cell_angle_alpha   105.37
_cell_angle_beta   104.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PCl
_chemical_formula_sum   'Ta2 P1 Cl1'
_cell_volume   78.74
_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
  Ta  Ta0  1  0.0  0.06  0.38  1.0
  Ta  Ta1  1  0.0  0.15  0.15  1.0
  P  P2  1  0.0  0.13  0.13  1.0
  Cl  Cl3  1  0.0  0.96  0.29  1.0

Ta Ta P Cl
Ta2PCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ta2PCl cluster. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Cl(1) atom. The Ta(1)-Cl(1) bond length is 0.65 Å. In the second Ta site, Ta(2) is bonded in a distorted bent 120 degrees geometry to one P(1) and one Cl(1) atom. The Ta(2)-P(1) bond length is 0.15 Å. The Ta(2)-Cl(1) bond length is 1.32 Å. P(1) is bonded in a single-bond geometry to one Ta(2) atom. Cl(1) is bonded in a distorted bent 120 degrees geometry to one Ta(1) and one Ta(2) atom.