data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   143.13
_cell_angle_beta   143.13
_cell_angle_gamma   53.13
_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  0.01  0.0  0.87  1.0
  V  V5  1  0.0  0.0  0.97  1.0
  V  V6  1  0.01  0.0  0.71  1.0
  V  V7  1  0.0  0.0  0.81  1.0
  Fe  Fe0  1  0.01  0.0  0.55  1.0
  Fe  Fe1  1  0.01  1.0  0.97  1.0
  Fe  Fe2  1  0.0  0.01  0.71  1.0
  Fe  Fe3  1  0.0  0.0  0.13  1.0

data_VFe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   6.35
_cell_angle_alpha   108.43
_cell_angle_beta   108.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_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'
  2  '-x, -y+5/611, -z'
  3  'y-z+730/733, x-z+3/733, -z'
  4  '-y+z+3/733, -x+z+3/733, 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  2  0.03  0.0  0.03  1.0
  V  V1  2  0.13  0.0  0.13  1.0
  Fe  Fe2  2  0.14  0.01  0.13  1.0
  Fe  Fe3  2  0.29  0.0  0.29  1.0

V V V V Fe Fe Fe Fe
V V V V Fe Fe Fe Fe 0 3 o o o 1 5 o - o 1 7 o o + 2 6 o o o 2 4 o o o 4 6 o o o 5 7 o + + 