data_V5Fe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Fe3
_chemical_formula_sum   'V5 Fe3'
_cell_volume   94.09
_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  0.81  0.0  0.81  1.0
  V  V4  1  0.81  0.0  0.41  1.0
  V  V5  1  0.0  0.81  0.81  1.0
  V  V6  1  0.0  0.0  0.0  1.0
  V  V7  1  0.0  0.81  0.41  1.0
  Fe  Fe0  1  0.81  0.81  0.61  1.0
  Fe  Fe1  1  0.81  0.81  0.0  1.0
  Fe  Fe2  1  0.0  0.0  0.61  1.0

data_V5Fe3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V5Fe3
_chemical_formula_sum   'V10 Fe6'
_cell_volume   188.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.4  0.4  0.42  1.0
  V  V1  4  0.4  0.4  0.8  1.0
  V  V2  2  0.0  0.0  0.0  1.0
  Fe  Fe3  2  0.0  0.0  0.61  1.0
  Fe  Fe4  2  0.3  0.5  0.0  1.0
  Fe  Fe5  2  0.3  0.5  0.61  1.0

V V V V V Fe Fe Fe