data_[V2Fe2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.0178]
_cell_length_b [4.9738]
_cell_length_c [7.2212]
_cell_angle_alpha [86.0703]
_cell_angle_beta [89.2831]
_cell_angle_gamma [89.3497]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VFeO3]
_chemical_formula_sum '[V2 Fe2 O6]'
_cell_volume [108.1217]
_cell_formula_units_Z [2]
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  0.0013  0.0089  0.4997  1
  V  V1  1  0.9965  0.9909  0.0067  1
  Fe  Fe2  1  0.4960  0.4557  0.7594  1
  Fe  Fe3  1  0.5111  0.5329  0.2168  1
  O  O4  1  0.0008  0.1721  0.7518  1
  O  O5  1  0.4730  0.7819  0.5731  1
  O  O6  1  0.4892  0.2275  0.0550  1
  O  O7  1  0.5053  0.7475  0.9528  1
  O  O8  1  0.5326  0.2572  0.4303  1
  O  O9  1  0.9942  0.8254  0.2544  1
]