data_VFeOs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeOs4
_chemical_formula_sum   'V1 Fe1 Os4'
_cell_volume   91.33
_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
  Fe  Fe0  1  0.79  0.79  0.79  1.0
  Os  Os1  1  0.68  0.68  0.46  1.0
  Os  Os2  1  0.68  0.46  0.68  1.0
  Os  Os3  1  0.46  0.68  0.68  1.0
  Os  Os4  1  0.46  0.46  0.46  1.0

data_VFeOs4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   12.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VFeOs4
_chemical_formula_sum   'V3 Fe3 Os12'
_cell_volume   274.0
_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
  Fe  Fe1  3  0.0  0.0  0.21  1.0
  Os  Os2  9  0.15  0.07  0.39  1.0
  Os  Os3  3  0.0  0.0  0.54  1.0

V Fe Os Os Os Os
V Fe Os Os Os Os 0 1 - - - 0 2 - - o 0 3 - o - 0 4 o - - 1 4 o o o 1 3 o o o 1 2 o 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 
VOs4Fe crystallizes in the trigonal R3m space group. V(1) is bonded in a 3-coordinate geometry to three equivalent Os(1), three equivalent Os(2), and four equivalent Fe(1) atoms. All V(1)-Os(1) bond lengths are 2.38 Å. All V(1)-Os(2) bond lengths are 3.34 Å. There is one shorter (2.64 Å) and three longer (3.28 Å) V(1)-Fe(1) bond lengths. There are two inequivalent Os sites. In the first Os site, Os(2) is bonded in a 9-coordinate geometry to three equivalent V(1), three equivalent Os(1), and three equivalent Fe(1) atoms. All Os(2)-Os(1) bond lengths are 1.92 Å. All Os(2)-Fe(1) bond lengths are 2.92 Å. In the second Os site, Os(1) is bonded in a 6-coordinate geometry to one V(1), one Os(2), two equivalent Os(1), and two equivalent Fe(1) atoms. Both Os(1)-Os(1) bond lengths are 1.11 Å. There is one shorter (2.27 Å) and one longer (3.00 Å) Os(1)-Fe(1) bond length. Fe(1) is bonded in a 13-coordinate geometry to four equivalent V(1), three equivalent Os(2), and six equivalent Os(1) atoms.