data_[Ba4N4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2503]
_cell_length_b [8.8104]
_cell_length_c [3.9760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2N2O7]
_chemical_formula_sum '[Ba4 N4 O14]'
_cell_volume [348.3563]
_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  0.1995  0.0000  1.0
  N  N1  4  0.1762  0.5000  0.5882  1.0
  O  O2  8  0.2162  0.3747  0.7333  1.0
  O  O3  4  0.0928  0.5000  0.2956  1.0
  O  O4  2  0.0000  0.0000  0.5000  1.0
]