data_Te3PH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3PH
_chemical_formula_sum   'Te3 P1 H1'
_cell_volume   102.94
_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
  Te  Te1  1  0.0  0.34  0.0  1.0
  Te  Te2  1  0.0  0.0  0.34  1.0
  Te  Te3  1  0.34  0.0  0.0  1.0
  P  P0  1  0.34  0.34  0.34  1.0
  H  H4  1  0.0  0.0  0.0  1.0

data_Te3PH
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Te3PH
_chemical_formula_sum   'Te9 P3 H3'
_cell_volume   308.82
_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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Te  Te0  9  0.22  0.44  0.78  1.0
  P  P1  3  0.0  0.0  0.34  1.0
  H  H2  3  0.0  0.0  0.0  1.0

Te Te Te P H
PHTe3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three PHTe3 clusters. P(1) is bonded in a 3-coordinate geometry to three equivalent Te(1) atoms. All P(1)-Te(1) bond lengths are 2.28 Å. H(1) is bonded in a distorted T-shaped geometry to three equivalent Te(1) atoms. All H(1)-Te(1) bond lengths are 1.61 Å. Te(1) is bonded in a distorted single-bond geometry to one P(1) and one H(1) atom.