data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   106.78
_cell_angle_gamma   99.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V4 Fe4'
_cell_volume   91.77
_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  0.54  0.98  0.63  1.0
  V  V5  1  0.27  0.88  0.42  1.0
  V  V6  1  0.27  0.1  0.21  1.0
  V  V7  1  0.46  0.21  0.61  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.73  0.86  0.24  1.0
  Fe  Fe2  1  0.73  0.09  0.03  1.0
  Fe  Fe3  1  0.46  0.99  0.82  1.0

data_VFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   106.78
_cell_angle_gamma   99.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V4 Fe4'
_cell_volume   91.77
_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  0.27  0.1  0.21  1.0
  V  V1  1  0.27  0.88  0.42  1.0
  V  V2  1  0.46  0.21  0.61  1.0
  V  V3  1  0.54  0.98  0.63  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Fe  Fe5  1  0.46  0.99  0.82  1.0
  Fe  Fe6  1  0.73  0.09  0.03  1.0
  Fe  Fe7  1  0.73  0.86  0.24  1.0

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