data_[Ba6Np4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Np  1.3600  1.7500  1.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4438]
_cell_length_b [4.4438]
_cell_length_c [22.2532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3Np2O7]
_chemical_formula_sum '[Ba6 Np4 O14]'
_cell_volume [439.4384]
_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  0.3137  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  Np  Np2  4  0.0000  0.0000  0.1002  1
  O  O3  8  0.0000  0.5000  0.0978  1
  O  O4  4  0.0000  0.0000  0.2004  1
  O  O5  2  0.0000  0.0000  0.0000  1
]