data_La3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.57
_cell_length_b   11.57
_cell_length_c   11.57
_cell_angle_alpha   18.59
_cell_angle_beta   18.59
_cell_angle_gamma   18.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3In
_chemical_formula_sum   'La3 In1'
_cell_volume   137.71
_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  La1  1  0.0  0.0  0.42  1.0
  La  La2  1  0.0  0.0  0.06  1.0
  La  La3  1  0.0  0.0  0.69  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_La3In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.48
_cell_length_b   3.74
_cell_length_c   11.57
_cell_angle_alpha   90.0
_cell_angle_beta   100.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La3In
_chemical_formula_sum   'La6 In2'
_cell_volume   275.43
_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  0.31  1.0
  La  La1  2  -0.0  0.0  0.94  1.0
  La  La2  2  0.0  0.0  0.58  1.0
  In  In3  2  0.0  0.0  0.0  1.0

La La La In
La La La In 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o - 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o + 
La3In crystallizes in the monoclinic Cm space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one La(2), one La(3), and six equivalent La(1) atoms. The La(1)-La(2) bond length is 4.23 Å. The La(1)-La(3) bond length is 3.11 Å. All La(1)-La(1) bond lengths are 3.74 Å. In the second La site, La(2) is bonded in a single-bond geometry to one La(1) and one In(1) atom. The La(2)-In(1) bond length is 0.65 Å. In the third La site, La(3) is bonded in a 8-coordinate geometry to one La(1), six equivalent La(3), and one In(1) atom. All La(3)-La(3) bond lengths are 3.74 Å. The La(3)-In(1) bond length is 3.58 Å. In(1) is bonded in a single-bond geometry to one La(2) and one La(3) atom.