data_VBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   120.78
_cell_angle_beta   120.78
_cell_angle_gamma   88.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBi2Ir
_chemical_formula_sum   'V1 Bi2 Ir1'
_cell_volume   85.05
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.45  0.0  0.77  1.0
  Bi  Bi1  1  0.0  0.45  0.77  1.0
  Ir  Ir2  1  0.0  0.0  0.55  1.0

data_VBi2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   134.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VBi2Ir
_chemical_formula_sum   'V2 Bi4 Ir2'
_cell_volume   170.11
_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
  V  V0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  4  0.45  0.22  0.68  1.0
  Ir  Ir2  2  0.45  0.0  0.45  1.0

V Bi Bi Ir
V Bi Bi Ir 0 1 - o - 0 2 o - - 0 3 o o - 0 3 o o o 1 3 o o o 2 3 o o o 
VIrBi2 crystallizes in the monoclinic Cm space group. V(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Bi(1) atoms. There is one shorter (2.25 Å) and one longer (2.70 Å) V(1)-Ir(1) bond length. Both V(1)-Bi(1) bond lengths are 2.36 Å. Ir(1) is bonded in a distorted see-saw-like geometry to two equivalent V(1) and two equivalent Bi(1) atoms. Both Ir(1)-Bi(1) bond lengths are 1.91 Å. Bi(1) is bonded in a distorted linear geometry to one V(1) and one Ir(1) atom.