data_HfTiBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiBe2
_chemical_formula_sum   'Hf1 Ti1 Be2'
_cell_volume   56.88
_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  0.43  0.43  0.29  1.0
  Ti  Ti3  1  0.0  0.0  0.49  1.0
  Be  Be0  1  0.43  0.43  0.33  1.0
  Be  Be1  1  0.0  0.0  0.31  1.0

data_HfTiBe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTiBe2
_chemical_formula_sum   'Hf2 Ti2 Be4'
_cell_volume   113.77
_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  0.43  0.0  0.29  1.0
  Ti  Ti1  2  0.0  0.0  0.49  1.0
  Be  Be2  2  0.0  0.0  0.31  1.0
  Be  Be3  2  0.43  0.0  0.33  1.0

Hf Ti Be Be
Hf Ti Be Be 0 2 o o o 1 3 o o o 
BeHfTiBe is alpha carbon monoxide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two beryllium;hafnium molecules and two beryllium;titanium molecules.