data_TaP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaP4
_chemical_formula_sum   'Ta1 P4'
_cell_volume   95.34
_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  Ta4  1  0.0  0.0  0.0  1.0
  P  P0  1  0.44  0.44  0.56  1.0
  P  P1  1  0.56  0.44  0.44  1.0
  P  P2  1  0.44  0.44  0.44  1.0
  P  P3  1  0.44  0.56  0.44  1.0

data_TaP4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.14
_cell_length_b   8.14
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaP4
_chemical_formula_sum   'Ta3 P12'
_cell_volume   286.02
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  3  0.0  0.0  0.0  1.0
  P  P1  9  0.08  0.04  0.48  1.0
  P  P2  3  0.0  0.0  0.44  1.0

Ta P P P P
Ta P P P P 0 4 - - - 0 4 o o o 0 3 - - - 0 3 o o o 0 2 - - - 0 2 o o o 0 1 - - - 0 1 o o o 1 3 o o o 2 3 o o o 3 4 o o o 
TaP4 is Tungsten structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three TaP4 clusters. Ta(1) is bonded in a distorted single-bond geometry to one P(2) atom. The Ta(1)-P(2) bond length is 2.19 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a single-bond geometry to one P(2) atom. The P(1)-P(2) bond length is 0.61 Å. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one Ta(1) and three equivalent P(1) atoms.