data_LaV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaV2
_chemical_formula_sum   'La4 V8'
_cell_volume   241.02
_cell_formula_units_Z   4
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  0.0  1.0
  La  La1  1  0.0  0.11  0.11  1.0
  La  La2  1  0.11  0.0  0.11  1.0
  La  La3  1  0.11  0.11  0.0  1.0
  V  V4  1  0.7  0.81  0.53  1.0
  V  V5  1  0.7  0.53  0.41  1.0
  V  V6  1  0.41  0.7  0.53  1.0
  V  V7  1  0.41  0.41  0.41  1.0
  V  V8  1  0.81  0.81  0.81  1.0
  V  V9  1  0.81  0.53  0.7  1.0
  V  V10  1  0.53  0.7  0.81  1.0
  V  V11  1  0.53  0.41  0.7  1.0

data_LaV2
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.8
_cell_length_b   8.8
_cell_length_c   10.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   LaV2
_chemical_formula_sum   'La12 V24'
_cell_volume   723.06
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.04  0.96  0.07  1.0
  La  La1  3  0.0  0.0  0.0  1.0
  V  V2  9  0.02  0.15  0.68  1.0
  V  V3  9  0.15  0.13  0.55  1.0
  V  V4  3  0.0  0.0  0.41  1.0
  V  V5  3  0.0  0.0  0.81  1.0

La La La La V V V V V V V V
LaV2 crystallizes in the trigonal R3 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to three equivalent La(2) and one V(4) atom. All La(1)-La(2) bond lengths are 0.98 Å. The La(1)-V(4) bond length is 2.05 Å. In the second La site, La(2) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), and one V(2) atom. Both La(2)-La(2) bond lengths are 0.98 Å. The La(2)-V(2) bond length is 3.70 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 3-coordinate geometry to one V(4) and two equivalent V(2) atoms. The V(1)-V(4) bond length is 1.90 Å. Both V(1)-V(2) bond lengths are 1.90 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to one La(2), one V(3), two equivalent V(1), and two equivalent V(2) atoms. The V(2)-V(3) bond length is 1.90 Å. Both V(2)-V(2) bond lengths are 2.19 Å. In the third V site, V(3) is bonded in a 3-coordinate geometry to three equivalent V(2) atoms. In the fourth V site, V(4) is bonded in a distorted single-bond geometry to one La(1) and three equivalent V(1) atoms.