data_V5Fe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   5.1
_cell_length_c   4.88
_cell_angle_alpha   74.86
_cell_angle_beta   54.2
_cell_angle_gamma   50.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Fe3
_chemical_formula_sum   'V5 Fe3'
_cell_volume   93.8
_cell_formula_units_Z   1
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  V3  1  0.28  0.08  0.0  1.0
  V  V4  1  0.82  0.25  0.42  1.0
  V  V5  1  0.82  0.16  0.89  1.0
  V  V6  1  0.28  0.16  0.89  1.0
  V  V7  1  0.55  0.16  0.68  1.0
  Fe  Fe0  1  0.0  0.08  0.21  1.0
  Fe  Fe1  1  0.55  0.08  0.21  1.0
  Fe  Fe2  1  0.55  0.16  0.1  1.0

data_V5Fe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   5.1
_cell_angle_alpha   105.14
_cell_angle_beta   105.14
_cell_angle_gamma   117.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Fe3
_chemical_formula_sum   'V5 Fe3'
_cell_volume   93.8
_cell_formula_units_Z   1
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  0.72  0.64  1.0
  V  V1  1  0.42  0.17  0.93  1.0
  V  V2  1  0.68  0.45  0.29  1.0
  V  V3  1  0.89  0.17  0.01  1.0
  V  V4  1  0.89  0.72  0.56  1.0
  Fe  Fe5  1  0.1  0.45  0.29  1.0
  Fe  Fe6  1  0.21  -0.0  0.92  1.0
  Fe  Fe7  1  0.21  0.45  0.37  1.0

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