data_HfBeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_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   HfBeBr
_chemical_formula_sum   'Hf1 Be1 Br1'
_cell_volume   57.54
_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  Hf2  1  0.0  0.62  0.61  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.27  0.31  0.61  1.0

data_HfBeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBeBr
_chemical_formula_sum   'Hf1 Be1 Br1'
_cell_volume   57.54
_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  0.62  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.61  0.27  0.31  1.0

Hf Be Br
Hf Be Br 0 1 o + o 0 1 o + + 0 2 o o o 1 2 o o - 
BeHfBr crystallizes in the triclinic P1 space group. Be(1) is bonded in a 1-coordinate geometry to one Hf(1) and two equivalent Br(1) atoms. The Be(1)-Hf(1) bond length is 2.13 Å. There is one shorter (1.83 Å) and one longer (2.37 Å) Be(1)-Br(1) bond length. Hf(1) is bonded in a 3-coordinate geometry to one Be(1) and two equivalent Br(1) atoms. There is one shorter (2.29 Å) and one longer (2.88 Å) Hf(1)-Br(1) bond length. Br(1) is bonded in a 4-coordinate geometry to two equivalent Be(1) and two equivalent Hf(1) atoms.