data_HF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   2.56
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HF
_chemical_formula_sum   'H2 F2'
_cell_volume   31.32
_cell_formula_units_Z   2
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
  H  H2  1  0.49  0.95  0.26  1.0
  H  H3  1  0.49  0.05  0.78  1.0
  F  F0  1  0.49  0.99  0.26  1.0
  F  F1  1  0.49  0.01  0.78  1.0

data_HF
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.56
_cell_length_b   2.56
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.76
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HF
_chemical_formula_sum   'H2 F2'
_cell_volume   31.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  H  H0  2  0.0  0.05  0.76  1.0
  F  F1  2  0.0  0.01  0.76  1.0

H H F F
H H F F 0 2 o o o 1 3 o o o 
HF is alpha carbon monoxide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two molecular hydrogen;hydrofluoride molecules. H(1) is bonded in a single-bond geometry to one F(1) atom. The H(1)-F(1) bond length is 0.10 Å. F(1) is bonded in a single-bond geometry to one H(1) atom.