data_HfPBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPBr
_chemical_formula_sum   'Hf1 P1 Br1'
_cell_volume   58.54
_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  0.0  0.65  0.61  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.29  0.32  0.61  1.0

data_HfPBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPBr
_chemical_formula_sum   'Hf1 P1 Br1'
_cell_volume   58.54
_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  Hf0  1  0.61  0.0  0.65  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.61  0.29  0.32  1.0

Hf P Br
HfPBr crystallizes in the triclinic P1 space group. Hf(1) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent Br(1) atoms. There is one shorter (2.05 Å) and one longer (2.54 Å) Hf(1)-P(1) bond length. There is one shorter (2.44 Å) and one longer (2.81 Å) Hf(1)-Br(1) bond length. P(1) is bonded in a 4-coordinate geometry to two equivalent Hf(1) and two equivalent Br(1) atoms. There is one shorter (1.89 Å) and one longer (2.42 Å) P(1)-Br(1) bond length. Br(1) is bonded in a 4-coordinate geometry to two equivalent Hf(1) and two equivalent P(1) atoms.