data_V4CoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V4CoOs
_chemical_formula_sum   'V4 Co1 Os1'
_cell_volume   78.11
_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  0.55  0.55  0.24  1.0
  V  V3  1  0.55  0.24  0.55  1.0
  V  V4  1  0.24  0.55  0.55  1.0
  V  V5  1  0.24  0.24  0.24  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.7  0.7  0.7  1.0

data_V4CoOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   11.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   V4CoOs
_chemical_formula_sum   'V12 Co3 Os3'
_cell_volume   234.32
_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  9  0.21  0.1  0.55  1.0
  V  V1  3  0.0  0.0  0.76  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Os  Os3  3  0.0  0.0  0.3  1.0

V V V V Co Os
V4OsCo crystallizes in the trigonal R3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 3-coordinate geometry to two equivalent V(1), three equivalent V(2), one Os(1), and three equivalent Co(1) atoms. Both V(1)-V(1) bond lengths are 1.51 Å. There is one shorter (2.61 Å) and two longer (2.85 Å) V(1)-V(2) bond lengths. The V(1)-Os(1) bond length is 2.13 Å. There are two shorter (2.78 Å) and one longer (3.22 Å) V(1)-Co(1) bond length. In the second V site, V(2) is bonded in a 16-coordinate geometry to nine equivalent V(1), three equivalent Os(1), and four equivalent Co(1) atoms. All V(2)-Os(1) bond lengths are 3.15 Å. There is one shorter (2.77 Å) and three longer (3.00 Å) V(2)-Co(1) bond lengths. Os(1) is bonded in a 3-coordinate geometry to three equivalent V(1), three equivalent V(2), and three equivalent Co(1) atoms. All Os(1)-Co(1) bond lengths are 2.79 Å. Co(1) is bonded in a 16-coordinate geometry to four equivalent V(2), nine equivalent V(1), and three equivalent Os(1) atoms.