data_[Ba4Np4N14]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.1057]
_cell_length_b [10.1093]
_cell_length_c [4.2136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba2Np2N7]
_chemical_formula_sum '[Ba4 Np4 N14]'
_cell_volume [387.8723]
_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  0.2342  0.0000  0.0000  1
  Np  Np1  4  0.0000  0.2140  0.5000  1
  N  N2  8  0.2405  0.3136  0.5000  1
  N  N3  4  0.0000  0.2176  0.0000  1
  N  N4  2  0.0000  0.0000  0.5000  1
]