data_HfMnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnB2
_chemical_formula_sum   'Hf1 Mn1 B2'
_cell_volume   44.14
_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  0.4  0.4  0.75  1.0
  Mn  Mn3  1  0.0  0.0  0.75  1.0
  B  B0  1  0.4  0.4  0.63  1.0
  B  B1  1  0.0  0.0  0.03  1.0

data_HfMnB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMnB2
_chemical_formula_sum   'Hf2 Mn2 B4'
_cell_volume   88.29
_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  0.4  0.0  0.75  1.0
  Mn  Mn1  2  0.0  0.0  0.75  1.0
  B  B2  2  0.0  0.0  0.03  1.0
  B  B3  2  0.4  0.0  0.63  1.0

Hf Mn B B
HfMnB2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfMnB2 clusters. Hf(1) is bonded in a single-bond geometry to one Mn(1) and one B(1) atom. The Hf(1)-Mn(1) bond length is 1.56 Å. The Hf(1)-B(1) bond length is 0.64 Å. Mn(1) is bonded in a 2-coordinate geometry to one Hf(1) and one B(2) atom. The Mn(1)-B(2) bond length is 1.56 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one Hf(1) atom. In the second B site, B(2) is bonded in a single-bond geometry to one Mn(1) atom.