data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V4 Fe4'
_cell_volume   91.61
_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  0.07  0.0  0.76  1.0
  V  V5  1  0.0  0.0  0.84  1.0
  V  V6  1  0.0  0.27  0.65  1.0
  V  V7  1  0.0  0.73  0.65  1.0
  Fe  Fe0  1  0.07  0.27  0.19  1.0
  Fe  Fe1  1  0.07  0.0  0.38  1.0
  Fe  Fe2  1  0.07  0.73  0.19  1.0
  Fe  Fe3  1  0.0  0.0  0.46  1.0

data_VFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V4 Fe4'
_cell_volume   91.61
_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  V0  1  -0.0  0.74  0.35  1.0
  V  V1  1  0.0  0.0  0.16  1.0
  V  V2  1  0.0  0.26  0.35  1.0
  V  V3  1  0.93  0.0  0.24  1.0
  Fe  Fe4  1  0.0  0.0  0.54  1.0
  Fe  Fe5  1  0.93  0.0  0.62  1.0
  Fe  Fe6  1  0.93  0.26  0.81  1.0
  Fe  Fe7  1  0.93  0.74  0.81  1.0

V V V V Fe Fe Fe Fe