data_V6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   118.27
_cell_angle_beta   118.27
_cell_angle_gamma   118.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V6Fe
_chemical_formula_sum   'V6 Fe1'
_cell_volume   87.14
_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  V1  1  0.34  0.45  0.84  1.0
  V  V2  1  0.22  0.75  0.84  1.0
  V  V3  1  0.56  0.2  0.69  1.0
  V  V4  1  0.44  0.8  0.84  1.0
  V  V5  1  0.78  0.25  0.69  1.0
  V  V6  1  0.66  0.55  0.69  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_V6Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.53
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   118.27
_cell_angle_beta   97.61
_cell_angle_gamma   97.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V6Fe
_chemical_formula_sum   'V6 Fe1'
_cell_volume   87.14
_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  0.69  0.03  0.14  1.0
  V  V1  1  0.69  0.13  0.49  1.0
  V  V2  1  0.69  0.91  0.43  1.0
  V  V3  1  0.84  0.4  0.04  1.0
  V  V4  1  0.84  0.5  0.39  1.0
  V  V5  1  0.84  0.62  0.1  1.0
  Fe  Fe6  1  0.0  0.0  0.0  1.0

V V V V V V Fe