data_SbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbP
_chemical_formula_sum   'Sb2 P2'
_cell_volume   84.37
_cell_formula_units_Z   2
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
  Sb  Sb2  1  0.48  0.48  0.48  1.0
  Sb  Sb3  1  0.22  0.22  0.22  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.74  0.74  0.74  1.0

data_SbP
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   12.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SbP
_chemical_formula_sum   'Sb6 P6'
_cell_volume   253.12
_cell_formula_units_Z   6
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
  Sb  Sb0  3  0.0  0.0  0.52  1.0
  Sb  Sb1  3  0.0  0.0  0.78  1.0
  P  P2  3  0.0  0.0  0.0  1.0
  P  P3  3  0.0  0.0  0.26  1.0

Sb Sb P P
Sb Sb P P 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 o o + 0 2 o + o 0 2 o + + 0 2 + o o 0 2 + o + 0 2 + + o 0 3 - o o 0 3 o - o 0 3 o o - 0 3 o o o 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + o 1 3 - - o 1 3 - o - 1 3 o - - 1 3 o o - 1 3 o - o 1 3 - o o 2 3 - - - 2 3 - - o 2 3 - o - 2 3 o - - 
SbP is Zintl Phase structured and crystallizes in the trigonal R3m space group. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sb(2) and four equivalent P(2) atoms. There are three shorter (2.98 Å) and one longer (3.13 Å) Sb(1)-Sb(2) bond length. There are three shorter (2.98 Å) and one longer (3.13 Å) Sb(1)-P(2) bond length. In the second Sb site, Sb(2) is bonded in a distorted single-bond geometry to four equivalent Sb(1) and one P(1) atom. The Sb(2)-P(1) bond length is 2.67 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted single-bond geometry to one Sb(2) atom. In the second P site, P(2) is bonded to four equivalent Sb(1) atoms to form distorted corner-sharing PSb4 tetrahedra.