data_LaHfIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfIn2
_chemical_formula_sum   'La1 Hf1 In2'
_cell_volume   101.71
_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  La3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.3  0.0  0.0  1.0
  In  In1  1  0.65  0.68  0.66  1.0
  In  In2  1  0.65  0.32  0.66  1.0

data_LaHfIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   109.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfIn2
_chemical_formula_sum   'La1 Hf1 In2'
_cell_volume   101.71
_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  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.3  0.0  1.0
  In  In2  1  0.66  0.65  0.32  1.0
  In  In3  1  0.66  0.65  0.68  1.0

La Hf In In
La Hf In In 0 1 o o o 2 3 o o o 
LaHfIn2 crystallizes in the triclinic P1 space group. La(1) is bonded in a distorted bent 120 degrees geometry to one Hf(1), one In(1), and one In(2) atom. The La(1)-Hf(1) bond length is 1.68 Å. The La(1)-In(1) bond length is 2.50 Å. The La(1)-In(2) bond length is 3.34 Å. Hf(1) is bonded in a 2-coordinate geometry to one La(1) and two equivalent In(2) atoms. There is one shorter (2.50 Å) and one longer (3.13 Å) Hf(1)-In(2) bond length. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 1-coordinate geometry to one La(1) and one In(2) atom. The In(1)-In(2) bond length is 2.01 Å. In the second In site, In(2) is bonded in a 4-coordinate geometry to one La(1), two equivalent Hf(1), and one In(1) atom.