data_VCdIrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCdIrW
_chemical_formula_sum   'V1 Cd1 Ir1 W1'
_cell_volume   63.11
_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  V2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.16  0.16  0.16  1.0
  Ir  Ir1  1  0.58  0.58  0.58  1.0
  W  W3  1  0.74  0.74  0.74  1.0

data_VCdIrW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   10.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VCdIrW
_chemical_formula_sum   'V3 Cd3 Ir3 W3'
_cell_volume   189.32
_cell_formula_units_Z   3
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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
  V  V0  3  0.0  0.0  0.0  1.0
  Cd  Cd1  3  0.0  0.0  0.84  1.0
  Ir  Ir2  3  0.0  0.0  0.42  1.0
  W  W3  3  0.0  0.0  0.26  1.0

V Cd Ir W
V Cd Ir W 0 1 o o o 2 3 o o o 
VWIrCd crystallizes in the trigonal R3m space group. V(1) is bonded in a 8-coordinate geometry to four equivalent W(1), three equivalent Ir(1), and one Cd(1) atom. There are three shorter (2.70 Å) and one longer (2.85 Å) V(1)-W(1) bond length. All V(1)-Ir(1) bond lengths are 2.75 Å. The V(1)-Cd(1) bond length is 1.75 Å. W(1) is bonded in a distorted single-bond geometry to four equivalent V(1), one Ir(1), and three equivalent Cd(1) atoms. The W(1)-Ir(1) bond length is 1.75 Å. All W(1)-Cd(1) bond lengths are 2.75 Å. Ir(1) is bonded in a distorted single-bond geometry to three equivalent V(1), one W(1), and three equivalent Cd(1) atoms. All Ir(1)-Cd(1) bond lengths are 2.75 Å. Cd(1) is bonded in a 7-coordinate geometry to one V(1), three equivalent W(1), and three equivalent Ir(1) atoms.