data_[Ba1La1Nb1Ni1O6]
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
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7379]
_cell_length_b [5.7410]
_cell_length_c [5.7577]
_cell_angle_alpha [119.6192]
_cell_angle_beta [119.6752]
_cell_angle_gamma [90.3130]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaLaNbNiO6]
_chemical_formula_sum '[Ba1 La1 Nb1 Ni1 O6]'
_cell_volume [135.1724]
_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
[
  Ba  Ba0  1  0.2499  0.7531  0.5020  1.0
  La  La1  1  0.7361  0.2672  0.4991  1.0
  Nb  Nb2  1  0.5008  0.5018  0.0003  1.0
  Ni  Ni3  1  0.9991  0.0011  0.0002  1.0
  O  O4  1  0.1652  0.2681  0.9190  1.0
  O  O5  1  0.2961  0.2673  0.5097  1.0
  O  O6  1  0.3215  0.8056  0.0358  1.0
  O  O7  1  0.7149  0.2252  0.0390  1.0
  O  O8  1  0.7273  0.7073  0.4901  1.0
  O  O9  1  0.7891  0.7033  0.0048  1.0
]