data_V2Fe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   7.47
_cell_angle_alpha   95.52
_cell_angle_beta   95.52
_cell_angle_gamma   33.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Fe5
_chemical_formula_sum   'V2 Fe5'
_cell_volume   76.32
_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  V5  1  0.0  0.0  0.31  1.0
  V  V6  1  0.5  0.0  0.12  1.0
  Fe  Fe0  1  0.75  0.0  0.25  1.0
  Fe  Fe1  1  0.25  0.0  0.37  1.0
  Fe  Fe2  1  0.25  0.0  0.06  1.0
  Fe  Fe3  1  0.75  0.0  0.18  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0

data_V2Fe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.49
_cell_length_b   4.31
_cell_length_c   7.47
_cell_angle_alpha   95.52
_cell_angle_beta   90.0
_cell_angle_gamma   106.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Fe5
_chemical_formula_sum   'V2 Fe5'
_cell_volume   76.32
_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  0.5  0.88  1.0
  V  V1  1  0.0  1.0  0.69  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.0  0.25  0.82  1.0
  Fe  Fe4  1  0.0  0.25  0.75  1.0
  Fe  Fe5  1  0.0  0.75  0.63  1.0
  Fe  Fe6  1  0.0  0.75  0.94  1.0

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