data_V5Fe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   95.22
_cell_angle_beta   95.22
_cell_angle_gamma   117.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Fe3
_chemical_formula_sum   'V5 Fe3'
_cell_volume   94.56
_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  0.07  0.03  0.34  1.0
  V  V4  1  0.41  0.0  0.17  1.0
  V  V5  1  0.73  0.0  0.52  1.0
  V  V6  1  0.07  0.97  0.34  1.0
  V  V7  1  0.9  0.0  0.17  1.0
  Fe  Fe0  1  0.24  0.97  0.0  1.0
  Fe  Fe1  1  0.24  0.0  0.52  1.0
  Fe  Fe2  1  0.24  0.03  0.0  1.0

data_V5Fe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   95.22
_cell_angle_beta   95.22
_cell_angle_gamma   117.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Fe3
_chemical_formula_sum   'V5 Fe3'
_cell_volume   94.56
_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  0.07  0.03  0.34  1.0
  V  V1  1  0.07  0.97  0.34  1.0
  V  V2  1  0.41  0.0  0.17  1.0
  V  V3  1  0.73  0.0  0.52  1.0
  V  V4  1  0.9  0.0  0.17  1.0
  Fe  Fe5  1  0.24  0.0  0.52  1.0
  Fe  Fe6  1  0.24  0.03  0.0  1.0
  Fe  Fe7  1  0.24  0.97  0.0  1.0

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