data_[V4Fe2O12]
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 [P-1]
_cell_length_a [5.9343]
_cell_length_b [6.8314]
_cell_length_c [6.9354]
_cell_angle_alpha [84.4103]
_cell_angle_beta [74.6934]
_cell_angle_gamma [75.2637]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V2FeO6]
_chemical_formula_sum '[V4 Fe2 O12]'
_cell_volume [262.1253]
_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  2  0.2435  0.3866  0.2091  1.0
  V  V1  2  0.2579  0.7912  0.6148  1.0
  Fe  Fe2  2  0.2465  0.9137  0.0899  1.0
  O  O3  2  0.0520  0.6287  0.6489  1.0
  O  O4  2  0.1411  0.9601  0.8042  1.0
  O  O5  2  0.2292  0.6158  0.0922  1.0
  O  O6  2  0.2782  0.9062  0.3886  1.0
  O  O7  2  0.3533  0.1929  0.0434  1.0
  O  O8  2  0.4465  0.3514  0.3673  1.0
]