data_LiLaHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaHf
_chemical_formula_sum   'Li1 La1 Hf1'
_cell_volume   75.26
_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
  Li  Li2  1  0.0  0.0  0.2  1.0
  La  La1  1  0.0  0.01  0.24  1.0
  Hf  Hf0  1  0.6  0.5  0.97  1.0

data_LiLaHf
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaHf
_chemical_formula_sum   'Li1 La1 Hf1'
_cell_volume   75.26
_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
  Li  Li0  1  0.2  0.0  0.0  1.0
  La  La1  1  0.24  0.0  0.01  1.0
  Hf  Hf2  1  0.97  0.6  0.5  1.0

Li La Hf
Li La Hf 0 1 o o o 0 2 o o - 0 2 - - - 1 2 o o - 1 2 - - - 
LiLaHf crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiLaHf cluster. Li(1) is bonded in a single-bond geometry to one La(1) and one Hf(1) atom. The Li(1)-La(1) bond length is 0.13 Å. The Li(1)-Hf(1) bond length is 2.49 Å. La(1) is bonded in a single-bond geometry to one Li(1) atom. Hf(1) is bonded in a 1-coordinate geometry to one Li(1) atom.