data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V4 Fe4'
_cell_volume   91.63
_cell_formula_units_Z   4
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  V4  1  0.0  0.42  0.71  1.0
  V  V5  1  0.58  0.84  0.13  1.0
  V  V6  1  0.0  0.26  0.71  1.0
  V  V7  1  0.42  0.84  0.13  1.0
  Fe  Fe0  1  0.84  0.42  0.71  1.0
  Fe  Fe1  1  0.42  0.84  0.29  1.0
  Fe  Fe2  1  0.42  0.0  0.13  1.0
  Fe  Fe3  1  0.0  0.42  0.55  1.0

data_VFe
_symmetry_space_group_name_H-M   C2
_cell_length_a   5.68
_cell_length_b   8.03
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   125.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   5
_chemical_formula_structural   VFe
_chemical_formula_sum   'V8 Fe8'
_cell_volume   183.25
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, y, -z'
  3  'x+1/2, y+1/2, z'
  4  '-x+1/2, y+1/2, -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  V0  4  0.21  0.21  0.79  1.0
  V  V1  4  0.21  0.79  0.21  1.0
  Fe  Fe2  4  0.21  0.37  0.79  1.0
  Fe  Fe3  4  0.21  0.79  0.37  1.0

V V V V Fe Fe Fe Fe