data_VFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   7.45
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2
_chemical_formula_sum   'V8 Fe16'
_cell_volume   291.93
_cell_formula_units_Z   8
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  V16  1  0.56  0.56  0.56  1.0
  V  V17  1  0.24  0.24  0.56  1.0
  V  V18  1  0.24  0.56  0.24  1.0
  V  V19  1  0.56  0.24  0.24  1.0
  V  V20  1  0.61  0.61  0.61  1.0
  V  V21  1  0.92  0.92  0.61  1.0
  V  V22  1  0.92  0.61  0.92  1.0
  V  V23  1  0.61  0.92  0.92  1.0
  Fe  Fe0  1  0.32  0.95  0.95  1.0
  Fe  Fe1  1  0.95  0.32  0.95  1.0
  Fe  Fe2  1  0.95  0.95  0.32  1.0
  Fe  Fe3  1  0.32  0.32  0.32  1.0
  Fe  Fe4  1  0.27  0.27  0.19  1.0
  Fe  Fe5  1  0.27  0.19  0.27  1.0
  Fe  Fe6  1  0.19  0.27  0.27  1.0
  Fe  Fe7  1  0.35  0.27  0.27  1.0
  Fe  Fe8  1  0.27  0.35  0.27  1.0
  Fe  Fe9  1  0.27  0.27  0.35  1.0
  Fe  Fe10  1  0.9  0.9  0.98  1.0
  Fe  Fe11  1  0.9  0.98  0.9  1.0
  Fe  Fe12  1  0.98  0.9  0.9  1.0
  Fe  Fe13  1  0.82  0.9  0.9  1.0
  Fe  Fe14  1  0.9  0.82  0.9  1.0
  Fe  Fe15  1  0.9  0.9  0.82  1.0

data_VFe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   18.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VFe2
_chemical_formula_sum   'V24 Fe48'
_cell_volume   875.8
_cell_formula_units_Z   24
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  0.11  0.21  0.65  1.0
  V  V1  9  0.21  0.11  0.18  1.0
  V  V2  3  0.0  0.0  0.39  1.0
  V  V3  3  0.0  0.0  0.44  1.0
  Fe  Fe4  9  0.03  0.05  0.08  1.0
  Fe  Fe5  9  0.03  0.05  0.71  1.0
  Fe  Fe6  9  0.05  0.03  0.13  1.0
  Fe  Fe7  9  0.05  0.03  0.76  1.0
  Fe  Fe8  9  0.09  0.54  0.6  1.0
  Fe  Fe9  3  0.0  0.0  0.68  1.0

V V V V V V V V Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe