data_La2TiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   10.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiV
_chemical_formula_sum   'La2 Ti1 V1'
_cell_volume   98.12
_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  0.56  1.0
  La  La1  1  0.83  0.0  0.26  1.0
  Ti  Ti2  1  0.0  0.0  0.59  1.0
  V  V3  1  0.83  0.0  0.88  1.0

data_La2TiV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   10.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiV
_chemical_formula_sum   'La2 Ti1 V1'
_cell_volume   98.12
_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  0.56  1.0
  La  La1  1  0.83  0.0  0.26  1.0
  Ti  Ti2  1  0.0  0.0  0.59  1.0
  V  V3  1  0.83  0.0  0.88  1.0

La La Ti V
La2TiV 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 one La(2) and one Ti(1) atom. The La(1)-La(2) bond length is 3.12 Å. The La(1)-Ti(1) bond length is 0.34 Å. In the second La site, La(2) is bonded in a 6-coordinate geometry to one La(1), four equivalent La(2), and one V(1) atom. All La(2)-La(2) bond lengths are 3.20 Å. The La(2)-V(1) bond length is 3.92 Å. Ti(1) is bonded in a single-bond geometry to one La(1) and one V(1) atom. The Ti(1)-V(1) bond length is 2.92 Å. V(1) is bonded in a 6-coordinate geometry to one La(2), one Ti(1), and four equivalent V(1) atoms. All V(1)-V(1) bond lengths are 3.20 Å.