data_[V4Fe4O12]
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 [P2_1/c]
_cell_length_a [6.1592]
_cell_length_b [5.2099]
_cell_length_c [7.0945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [VFeO3]
_chemical_formula_sum '[V4 Fe4 O12]'
_cell_volume [224.9661]
_cell_formula_units_Z [4]
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  4  0.1100  0.2487  0.0900  1.0
  Fe  Fe1  4  0.3063  0.7254  0.2642  1.0
  O  O2  4  0.0606  0.0674  0.3382  1.0
  O  O3  4  0.2002  0.5970  0.5071  1.0
  O  O4  4  0.3786  0.1419  0.6689  1.0
]