data_La3Hf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Hf
_chemical_formula_sum   'La3 Hf1'
_cell_volume   128.42
_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  La0  1  0.0  0.52  0.52  1.0
  La  La1  1  0.52  0.0  0.52  1.0
  La  La2  1  0.52  0.52  0.0  1.0
  Hf  Hf3  1  0.0  0.0  0.0  1.0

data_La3Hf
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La3Hf
_chemical_formula_sum   'La9 Hf3'
_cell_volume   385.25
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.17  0.35  0.35  1.0
  Hf  Hf1  3  0.0  0.0  0.0  1.0

La La La Hf
La3Hf is Uranium Silicide structured and crystallizes in the trigonal R3m space group. La(1) is bonded to eight equivalent La(1) and four equivalent Hf(1) atoms to form distorted LaLa8Hf4 cuboctahedra that share corners with twelve equivalent La(1)La8Hf4 cuboctahedra, edges with eight equivalent Hf(1)La12 cuboctahedra, edges with sixteen equivalent La(1)La8Hf4 cuboctahedra, faces with four equivalent Hf(1)La12 cuboctahedra, and faces with fourteen equivalent La(1)La8Hf4 cuboctahedra. There are a spread of La(1)-La(1) bond distances ranging from 3.41-3.73 Å. There are a spread of La(1)-Hf(1) bond distances ranging from 3.41-3.73 Å. Hf(1) is bonded to twelve equivalent La(1) atoms to form HfLa12 cuboctahedra that share corners with twelve equivalent Hf(1)La12 cuboctahedra, edges with twenty-four equivalent La(1)La8Hf4 cuboctahedra, faces with six equivalent Hf(1)La12 cuboctahedra, and faces with twelve equivalent La(1)La8Hf4 cuboctahedra.