data_LaHfTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   7.85
_cell_angle_alpha   156.87
_cell_angle_beta   156.87
_cell_angle_gamma   32.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfTa
_chemical_formula_sum   'La1 Hf1 Ta1'
_cell_volume   74.55
_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  0.0  0.0  0.83  1.0
  Hf  Hf0  1  0.0  0.0  0.35  1.0
  Ta  Ta2  1  0.0  0.0  0.87  1.0

data_LaHfTa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   106.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaHfTa
_chemical_formula_sum   'La2 Hf2 Ta2'
_cell_volume   149.1
_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  2  0.0  0.0  0.17  1.0
  Hf  Hf1  2  0.0  0.0  0.65  1.0
  Ta  Ta2  2  0.0  0.0  0.13  1.0

La Hf Ta
LaHfTa crystallizes in the monoclinic Cm space group. La(1) is bonded in a single-bond geometry to one Hf(1) and one Ta(1) atom. The La(1)-Hf(1) bond length is 3.77 Å. The La(1)-Ta(1) bond length is 0.25 Å. Hf(1) is bonded to one La(1), four equivalent Hf(1), and one Ta(1) atom to form a mixture of distorted corner and edge-sharing HfLaHf4Ta octahedra. The corner-sharing octahedra are not tilted. All Hf(1)-Hf(1) bond lengths are 3.15 Å. The Hf(1)-Ta(1) bond length is 3.83 Å. Ta(1) is bonded in a single-bond geometry to one La(1) and one Hf(1) atom.