data_La2HfSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfSi
_chemical_formula_sum   'La2 Hf1 Si1'
_cell_volume   100.9
_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
  La  La1  1  0.32  0.0  0.35  1.0
  La  La2  1  0.0  0.32  0.35  1.0
  Hf  Hf0  1  0.32  0.32  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_La2HfSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2HfSi
_chemical_formula_sum   'La4 Hf2 Si2'
_cell_volume   201.8
_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
  La  La0  4  0.16  0.16  0.35  1.0
  Hf  Hf1  2  0.32  0.0  0.0  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0

La La Hf Si
La2HfSi is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two La2HfSi clusters. La(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Si(1) atom. The La(1)-Hf(1) bond length is 2.20 Å. The La(1)-Si(1) bond length is 2.20 Å. Hf(1) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Si(1) atom. The Hf(1)-Si(1) bond length is 2.08 Å. Si(1) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Hf(1) atom.