data_SrSbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSbP
_chemical_formula_sum   'Sr1 Sb1 P1'
_cell_volume   90.04
_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
  Sr  Sr2  1  0.34  0.34  0.34  1.0
  Sb  Sb1  1  0.78  0.78  0.78  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_SrSbP
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   12.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrSbP
_chemical_formula_sum   'Sr3 Sb3 P3'
_cell_volume   270.11
_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
  Sr  Sr0  3  0.0  0.0  0.66  1.0
  Sb  Sb1  3  0.0  0.0  0.22  1.0
  P  P2  3  0.0  0.0  0.0  1.0

Sr Sb P
SrSbP is half-Heusler structured and crystallizes in the trigonal R3m space group. Sr(1) is bonded in a distorted hexagonal planar geometry to three equivalent Sb(1) and three equivalent P(1) atoms. All Sr(1)-Sb(1) bond lengths are 3.20 Å. All Sr(1)-P(1) bond lengths are 2.90 Å. Sb(1) is bonded to three equivalent Sr(1) and one P(1) atom to form distorted SbSr3P tetrahedra that share corners with six equivalent Sb(1)Sr3P tetrahedra, corners with three equivalent P(1)Sr3Sb trigonal pyramids, and edges with three equivalent P(1)Sr3Sb trigonal pyramids. The Sb(1)-P(1) bond length is 2.73 Å. P(1) is bonded to three equivalent Sr(1) and one Sb(1) atom to form distorted PSr3Sb trigonal pyramids that share corners with three equivalent Sb(1)Sr3P tetrahedra, corners with six equivalent P(1)Sr3Sb trigonal pyramids, and edges with three equivalent Sb(1)Sr3P tetrahedra.