data_La2ScV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   147.51
_cell_angle_beta   128.69
_cell_angle_gamma   62.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ScV
_chemical_formula_sum   'La2 Sc1 V1'
_cell_volume   104.68
_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  0.77  0.0  0.23  1.0
  La  La1  1  0.0  0.74  0.18  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.41  1.0

data_La2ScV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.47
_cell_length_c   6.32
_cell_angle_alpha   115.65
_cell_angle_beta   106.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ScV
_chemical_formula_sum   'La2 Sc1 V1'
_cell_volume   104.68
_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  0.54  0.77  0.54  1.0
  La  La1  1  0.82  0.55  0.55  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.59  0.59  0.59  1.0

La La Sc V
La2ScV crystallizes in the triclinic P1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to four equivalent Sc(1) and one V(1) atom. There are a spread of La(1)-Sc(1) bond distances ranging from 2.64-4.11 Å. The La(1)-V(1) bond length is 1.17 Å. In the second La site, La(2) is bonded in a single-bond geometry to three equivalent Sc(1) and one V(1) atom. There are a spread of La(2)-Sc(1) bond distances ranging from 2.73-3.85 Å. The La(2)-V(1) bond length is 0.90 Å. Sc(1) is bonded in a 12-coordinate geometry to three equivalent La(2), four equivalent La(1), two equivalent Sc(1), and three equivalent V(1) atoms. Both Sc(1)-Sc(1) bond lengths are 3.53 Å. There are a spread of Sc(1)-V(1) bond distances ranging from 2.62-3.76 Å. V(1) is bonded in a water-like geometry to one La(1), one La(2), and three equivalent Sc(1) atoms.