data_[Ba4Nb2N2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1597]
_cell_length_b [4.1641]
_cell_length_c [13.6182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba2NbNO3]
_chemical_formula_sum '[Ba4 Nb2 N2 O6]'
_cell_volume [235.8872]
_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  0.0000  0.0000  0.3551  1.0
  Nb  Nb1  2  0.0000  0.0000  0.0000  1.0
  N  N2  2  0.0000  0.5000  0.0000  1.0
  O  O3  4  0.0000  0.0000  0.1522  1.0
  O  O4  2  0.0000  0.5000  0.5000  1.0
]