data_V5Fe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.79
_cell_length_b   14.79
_cell_length_c   14.79
_cell_angle_alpha   9.99
_cell_angle_beta   9.99
_cell_angle_gamma   9.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Fe2
_chemical_formula_sum   'V5 Fe2'
_cell_volume   84.4
_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  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.91  1.0
  V  V4  1  0.0  0.0  0.3  1.0
  V  V5  1  0.0  0.0  0.83  1.0
  V  V6  1  0.0  0.0  0.22  1.0
  Fe  Fe0  1  0.0  0.0  0.61  1.0
  Fe  Fe1  1  0.0  0.0  0.52  1.0

data_V5Fe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   2.57
_cell_length_c   14.79
_cell_angle_alpha   90.0
_cell_angle_beta   95.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V5Fe2
_chemical_formula_sum   'V10 Fe4'
_cell_volume   168.8
_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  2  0.0  0.0  0.0  1.0
  V  V1  2  0.0  0.0  0.09  1.0
  V  V2  2  0.0  0.0  0.17  1.0
  V  V3  2  0.0  0.0  0.7  1.0
  V  V4  2  0.0  0.0  0.78  1.0
  Fe  Fe5  2  0.0  0.0  0.39  1.0
  Fe  Fe6  2  0.0  0.0  0.48  1.0

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