data_La2VIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2VIn
_chemical_formula_sum   'La2 V1 In1'
_cell_volume   106.61
_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  0.33  0.0  0.51  1.0
  La  La2  1  0.33  0.0  0.16  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.84  1.0

data_La2VIn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2VIn
_chemical_formula_sum   'La2 V1 In1'
_cell_volume   106.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.33  0.0  0.16  1.0
  La  La1  1  0.33  0.0  0.51  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.0  0.84  1.0

La La V In
La La V In 0 0 o + o 0 0 + o o 0 3 o o o 0 3 + o o 0 1 o o o 1 2 o o o 2 3 o o - 
La2VIn crystallizes in the monoclinic Pm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted single-bond geometry to one La(2), four equivalent La(1), and two equivalent In(1) atoms. The La(1)-La(2) bond length is 3.47 Å. All La(1)-La(1) bond lengths are 3.32 Å. There is one shorter (3.29 Å) and one longer (3.82 Å) La(1)-In(1) bond length. In the second La site, La(2) is bonded in a distorted L-shaped geometry to one La(1) and two equivalent V(1) atoms. There is one shorter (1.87 Å) and one longer (2.69 Å) La(2)-V(1) bond length. V(1) is bonded in a 3-coordinate geometry to two equivalent La(2) and one In(1) atom. The V(1)-In(1) bond length is 1.59 Å. In(1) is bonded in a distorted single-bond geometry to two equivalent La(1) and one V(1) atom.