data_VCoBi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCoBi4
_chemical_formula_sum   'V1 Co1 Bi4'
_cell_volume   177.87
_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  V5  1  0.0  0.0  0.0  1.0
  Co  Co4  1  0.7  0.7  0.7  1.0
  Bi  Bi0  1  0.58  0.58  0.35  1.0
  Bi  Bi1  1  0.58  0.35  0.58  1.0
  Bi  Bi2  1  0.35  0.58  0.58  1.0
  Bi  Bi3  1  0.35  0.35  0.35  1.0

data_VCoBi4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   15.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VCoBi4
_chemical_formula_sum   'V3 Co3 Bi12'
_cell_volume   533.6
_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
  Co  Co1  3  0.0  0.0  0.3  1.0
  Bi  Bi2  9  0.15  0.08  0.5  1.0
  Bi  Bi3  3  0.0  0.0  0.65  1.0

V Co Bi Bi Bi Bi
V Co Bi Bi Bi Bi 0 2 - - o 0 2 - o o 0 2 o - o 0 1 - - o 0 1 - o - 0 1 o - - 0 3 - o - 0 3 - o o 0 3 o o - 0 5 - o o 0 5 o - o 0 5 o o - 0 4 o - - 0 4 o - o 0 4 o o - 1 4 o o o 1 4 + o o 1 3 o o o 1 3 o + o 1 2 o o o 1 2 o o + 1 5 o o + 1 5 o + o 1 5 + o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
VCoBi4 crystallizes in the trigonal R3m space group. V(1) is bonded in a distorted trigonal planar geometry to three equivalent Co(1), three equivalent Bi(1), and three equivalent Bi(2) atoms. All V(1)-Co(1) bond lengths are 3.67 Å. All V(1)-Bi(1) bond lengths are 3.79 Å. All V(1)-Bi(2) bond lengths are 3.65 Å. Co(1) is bonded in a 12-coordinate geometry to three equivalent V(1), three equivalent Bi(2), and six equivalent Bi(1) atoms. All Co(1)-Bi(2) bond lengths are 3.65 Å. There are three shorter (3.11 Å) and three longer (3.54 Å) Co(1)-Bi(1) bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi(2) is bonded in a 6-coordinate geometry to three equivalent V(1), three equivalent Co(1), and three equivalent Bi(1) atoms. All Bi(2)-Bi(1) bond lengths are 2.53 Å. In the second Bi site, Bi(1) is bonded in a 2-coordinate geometry to one V(1), two equivalent Co(1), one Bi(2), and two equivalent Bi(1) atoms. Both Bi(1)-Bi(1) bond lengths are 1.46 Å.