data_[La4V2Fe2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [5.6102]
_cell_length_b [5.6793]
_cell_length_c [7.9105]
_cell_angle_alpha [90.0576]
_cell_angle_beta [90.3017]
_cell_angle_gamma [90.4573]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2VFeO6]
_chemical_formula_sum '[La4 V2 Fe2 O12]'
_cell_volume [252.0353]
_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
[
  La  La0  2  0.0114  0.0415  0.2484  1.0
  La  La1  2  0.4903  0.5429  0.2512  1.0
  V  V2  1  0.0000  0.5000  0.5000  1.0
  V  V3  1  0.5000  0.0000  0.0000  1.0
  Fe  Fe4  1  0.0000  0.5000  0.0000  1.0
  Fe  Fe5  1  0.5000  0.0000  0.5000  1.0
  O  O6  2  0.0882  0.5229  0.7481  1.0
  O  O7  2  0.1910  0.7713  0.4549  1.0
  O  O8  2  0.2064  0.7849  0.0472  1.0
  O  O9  2  0.2793  0.3000  0.4509  1.0
  O  O10  2  0.2898  0.2863  0.0457  1.0
  O  O11  2  0.4117  0.0224  0.7529  1.0
]