data_V4Fe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.3
_cell_length_b   14.23
_cell_length_c   2.48
_cell_angle_alpha   86.67
_cell_angle_beta   83.37
_cell_angle_gamma   9.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V4Fe3
_chemical_formula_sum   'V4 Fe3'
_cell_volume   81.88
_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  0.43  0.02  0.04  1.0
  V  V4  1  0.43  0.02  0.09  1.0
  V  V5  1  0.43  0.02  0.27  1.0
  V  V6  1  0.43  0.02  0.13  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.43  0.02  0.18  1.0
  Fe  Fe2  1  0.43  0.02  0.22  1.0

data_V4Fe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   2.48
_cell_length_c   14.23
_cell_angle_alpha   93.33
_cell_angle_beta   93.33
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V4Fe3
_chemical_formula_sum   'V4 Fe3'
_cell_volume   81.88
_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  0.04  0.57  0.55  1.0
  V  V1  1  0.09  0.57  0.55  1.0
  V  V2  1  0.13  0.57  0.55  1.0
  V  V3  1  0.27  0.57  0.55  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Fe  Fe5  1  0.18  0.57  0.55  1.0
  Fe  Fe6  1  0.22  0.57  0.55  1.0

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