data_La2VCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2VCu
_chemical_formula_sum   'La2 V1 Cu1'
_cell_volume   95.57
_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  0.93  1.0
  La  La2  1  0.67  0.67  0.67  1.0
  V  V3  1  0.0  0.0  0.85  1.0
  Cu  Cu0  1  0.67  0.67  0.86  1.0

data_La2VCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2VCu
_chemical_formula_sum   'La4 V2 Cu2'
_cell_volume   191.13
_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  0.93  1.0
  La  La1  2  0.17  0.5  0.67  1.0
  V  V2  2  0.0  0.0  0.85  1.0
  Cu  Cu3  2  0.17  0.5  0.86  1.0

La La V Cu
La2VCu crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two La2VCu clusters. There are two inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to one V(1) atom. The La(1)-V(1) bond length is 0.74 Å. In the second La site, La(2) is bonded in a single-bond geometry to one Cu(1) atom. The La(2)-Cu(1) bond length is 1.62 Å. V(1) is bonded in a single-bond geometry to one La(1) and one Cu(1) atom. The V(1)-Cu(1) bond length is 1.54 Å. Cu(1) is bonded in a 2-coordinate geometry to one La(2) and one V(1) atom.