data_[Nb2Al2Cd4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3670]
_cell_length_b [5.4815]
_cell_length_c [9.3969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NbAlCd2O6]
_chemical_formula_sum '[Nb2 Al2 Cd4 O12]'
_cell_volume [226.7699]
_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
[
  Nb  Nb0  2  0.0000  0.0000  0.5000  1.0
  Al  Al1  2  0.5000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.2413  0.0355  0.2495  1.0
  O  O3  4  0.1636  0.2009  0.9532  1.0
  O  O4  4  0.2565  0.7117  0.9544  1.0
  O  O5  4  0.3449  0.0264  0.7561  1.0
]