data_HfP2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfP2Br
_chemical_formula_sum   'Hf1 P2 Br1'
_cell_volume   82.69
_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
  Hf  Hf1  1  0.64  0.64  0.17  1.0
  P  P2  1  0.0  0.0  0.04  1.0
  P  P3  1  0.64  0.64  0.97  1.0
  Br  Br0  1  0.0  0.0  0.4  1.0

data_HfP2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfP2Br
_chemical_formula_sum   'Hf2 P4 Br2'
_cell_volume   165.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hf  Hf0  2  0.14  0.5  0.17  1.0
  P  P1  2  0.0  0.0  0.04  1.0
  P  P2  2  0.14  0.5  0.97  1.0
  Br  Br3  2  0.0  0.0  0.4  1.0

Hf P P Br
HfP2Br crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfP2Br clusters. Hf(1) is bonded in a 1-coordinate geometry to one P(1), one P(2), and one Br(1) atom. The Hf(1)-P(1) bond length is 1.98 Å. The Hf(1)-P(2) bond length is 1.60 Å. The Hf(1)-Br(1) bond length is 2.44 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted single-bond geometry to one Hf(1) atom. In the second P site, P(2) is bonded in a single-bond geometry to one Hf(1) atom. Br(1) is bonded in a 1-coordinate geometry to one Hf(1) atom.