data_Sb2PBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   4.39
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PBr
_chemical_formula_sum   'Sb2 P1 Br1'
_cell_volume   100.59
_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
  Sb  Sb2  1  0.0  0.19  0.02  1.0
  Sb  Sb3  1  0.9  0.19  0.0  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.9  0.0  0.02  1.0

data_Sb2PBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.39
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PBr
_chemical_formula_sum   'Sb2 P1 Br1'
_cell_volume   100.59
_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
  Sb  Sb0  1  0.0  0.19  0.02  1.0
  Sb  Sb1  1  0.9  0.19  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.9  0.0  0.02  1.0

Sb Sb P Br
Sb2PBr is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sb2PBr cluster. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in an L-shaped geometry to one Sb(2) and one P(1) atom. The Sb(1)-Sb(2) bond length is 0.42 Å. The Sb(1)-P(1) bond length is 0.86 Å. In the second Sb site, Sb(2) is bonded in an L-shaped geometry to one Sb(1) and one Br(1) atom. The Sb(2)-Br(1) bond length is 0.86 Å. P(1) is bonded in a distorted single-bond geometry to one Sb(1) and one Br(1) atom. The P(1)-Br(1) bond length is 0.42 Å. Br(1) is bonded in a distorted L-shaped geometry to one Sb(2) and one P(1) atom.