data_[Ba4La2Nb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2092]
_cell_length_b [6.1688]
_cell_length_c [10.6490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2LaNbO6]
_chemical_formula_sum '[Ba4 La2 Nb2 O12]'
_cell_volume [333.8758]
_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
[
  Ba  Ba0  4  0.2413  0.0151  0.2484  1.0
  La  La1  2  0.5000  0.0000  0.0000  1.0
  Nb  Nb2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1711  0.2491  0.4613  1.0
  O  O4  4  0.2069  0.7143  0.9627  1.0
  O  O5  4  0.2970  0.0098  0.7278  1.0
]