data_VFeSn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeSn4
_chemical_formula_sum   'V1 Fe1 Sn4'
_cell_volume   142.41
_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  0.07  0.07  0.07  1.0
  Sn  Sn1  1  0.11  0.11  0.18  1.0
  Sn  Sn2  1  0.11  0.18  0.11  1.0
  Sn  Sn3  1  0.18  0.11  0.11  1.0
  Sn  Sn4  1  0.18  0.18  0.18  1.0

data_VFeSn4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   14.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VFeSn4
_chemical_formula_sum   'V3 Fe3 Sn12'
_cell_volume   427.23
_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  0.93  1.0
  Sn  Sn2  9  0.02  0.05  0.87  1.0
  Sn  Sn3  3  0.0  0.0  0.82  1.0

V Fe Sn Sn Sn Sn
VFeSn4 is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three VFeSn4 clusters. V(1) is bonded in a single-bond geometry to one Fe(1) atom. The V(1)-Fe(1) bond length is 1.04 Å. Fe(1) is bonded in a distorted single-bond geometry to one V(1) and three equivalent Sn(1) atoms. All Fe(1)-Sn(1) bond lengths are 0.90 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 3-coordinate geometry to three equivalent Sn(1) atoms. All Sn(2)-Sn(1) bond lengths are 0.70 Å. In the second Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Fe(1), one Sn(2), and two equivalent Sn(1) atoms. Both Sn(1)-Sn(1) bond lengths are 0.41 Å.