data_Li2VIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   140.07
_cell_angle_beta   140.07
_cell_angle_gamma   57.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VIr
_chemical_formula_sum   'Li2 V1 Ir1'
_cell_volume   55.13
_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
  Li  Li1  1  0.0  0.75  0.25  1.0
  Li  Li2  1  0.75  0.0  0.25  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.49  1.0

data_Li2VIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   118.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2VIr
_chemical_formula_sum   'Li4 V2 Ir2'
_cell_volume   110.25
_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
  Li  Li0  4  0.37  0.12  0.49  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.49  0.0  0.49  1.0

Li Li V Ir
Li Li V Ir 0 3 o + o 0 2 o + o 1 3 + o o 1 2 + o o 2 3 o o - 2 3 o o o 
Li2VIr crystallizes in the monoclinic Cm space group. Li(1) is bonded in a single-bond geometry to two equivalent V(1) and one Ir(1) atom. There is one shorter (2.38 Å) and one longer (3.00 Å) Li(1)-V(1) bond length. The Li(1)-Ir(1) bond length is 0.87 Å. V(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one Ir(1) atom. The V(1)-Ir(1) bond length is 2.61 Å. Ir(1) is bonded in an L-shaped geometry to two equivalent Li(1) and one V(1) atom.