data_Hf2BeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   3.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BeW
_chemical_formula_sum   'Hf2 Be1 W1'
_cell_volume   69.7
_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  0.26  0.71  1.0
  Hf  Hf2  1  0.26  0.0  0.71  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.26  0.26  0.0  1.0

data_Hf2BeW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   3.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2BeW
_chemical_formula_sum   'Hf4 Be2 W2'
_cell_volume   139.39
_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  4  0.13  0.13  0.71  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.26  0.0  0.0  1.0

Hf Hf Be W
Hf Hf Be W 0 2 o o + 0 1 o o o 0 3 o o + 1 2 o o + 1 3 o o + 2 3 o o o 
BeHf2W crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeHf2W clusters. Be(1) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one W(1) atom. Both Be(1)-Hf(1) bond lengths are 1.54 Å. The Be(1)-W(1) bond length is 1.66 Å. Hf(1) is bonded in a 2-coordinate geometry to one Be(1) and one W(1) atom. The Hf(1)-W(1) bond length is 1.54 Å. W(1) is bonded in a 3-coordinate geometry to one Be(1) and two equivalent Hf(1) atoms.