data_SrP2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrP2Cl
_chemical_formula_sum   'Sr1 P2 Cl1'
_cell_volume   93.64
_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  0.6  0.6  0.6  1.0
  P  P1  1  0.8  0.8  0.8  1.0
  P  P2  1  0.41  0.41  0.41  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_SrP2Cl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrP2Cl
_chemical_formula_sum   'Sr3 P6 Cl3'
_cell_volume   280.92
_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  0.4  1.0
  P  P1  3  0.0  0.0  0.2  1.0
  P  P2  3  0.0  0.0  0.59  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

Sr P P Cl
SrP2Cl crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 5-coordinate geometry to one P(1), one P(2), and three equivalent Cl(1) atoms. The Sr(1)-P(1) bond length is 2.47 Å. The Sr(1)-P(2) bond length is 2.47 Å. All Sr(1)-Cl(1) bond lengths are 3.04 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a linear geometry to one Sr(1) and one Cl(1) atom. The P(1)-Cl(1) bond length is 2.47 Å. In the second P site, P(2) is bonded in a single-bond geometry to one Sr(1) atom. Cl(1) is bonded to three equivalent Sr(1) and one P(1) atom to form distorted corner-sharing ClSr3P tetrahedra.