data_[V1Cd1Fe2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1917]
_cell_length_b [5.2537]
_cell_length_c [5.5849]
_cell_angle_alpha [117.9556]
_cell_angle_beta [90.0504]
_cell_angle_gamma [119.0712]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VCd(FeO3)2]
_chemical_formula_sum '[V1 Cd1 Fe2 O6]'
_cell_volume [112.3281]
_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  0.9935  0.9994  0.9766  1.0
  Cd  Cd1  1  0.5108  0.0378  0.5423  1.0
  Fe  Fe2  1  0.2940  0.5918  0.8857  1.0
  Fe  Fe3  1  0.7932  0.5879  0.3614  1.0
  O  O4  1  0.0739  0.7844  0.1639  1.0
  O  O5  1  0.1529  0.7541  0.6919  1.0
  O  O6  1  0.3939  0.4492  0.1524  1.0
  O  O7  1  0.5955  0.5445  0.6851  1.0
  O  O8  1  0.7343  0.1125  0.1582  1.0
  O  O9  1  0.9461  0.1041  0.6850  1.0
]