data_SrNbP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbP2
_chemical_formula_sum   'Sr1 Nb1 P2'
_cell_volume   78.01
_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  Sr3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.39  0.39  0.39  1.0
  P  P1  1  0.09  0.09  0.09  1.0
  P  P2  1  0.7  0.7  0.7  1.0

data_SrNbP2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   11.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrNbP2
_chemical_formula_sum   'Sr3 Nb3 P6'
_cell_volume   234.04
_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  0.0  1.0
  Nb  Nb1  3  0.0  0.0  0.61  1.0
  P  P2  3  0.0  0.0  0.3  1.0
  P  P3  3  0.0  0.0  0.91  1.0

Sr Nb P P
Sr Nb P P 0 2 o o o 0 1 o o - 0 1 o - o 0 1 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 o - - 2 3 - o - 2 3 - - o 
SrNbP2 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a single-bond geometry to three equivalent Nb(1), one P(1), and four equivalent P(2) atoms. All Sr(1)-Nb(1) bond lengths are 2.85 Å. The Sr(1)-P(1) bond length is 1.02 Å. There are three shorter (2.79 Å) and one longer (3.57 Å) Sr(1)-P(2) bond length. Nb(1) is bonded in a 9-coordinate geometry to three equivalent Sr(1), three equivalent P(1), and three equivalent P(2) atoms. All Nb(1)-P(1) bond lengths are 2.79 Å. All Nb(1)-P(2) bond lengths are 2.79 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a single-bond geometry to one Sr(1) and three equivalent Nb(1) atoms. In the second P site, P(2) is bonded to four equivalent Sr(1) and three equivalent Nb(1) atoms to form a mixture of distorted edge and corner-sharing PSr4Nb3 hexagonal pyramids.