data_[Ba16Ag4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7882]
_cell_length_b [6.9754]
_cell_length_c [7.7933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8Ag2N]
_chemical_formula_sum '[Ba16 Ag4 N2]'
_cell_volume [1013.8999]
_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  0.0473  0.0000  0.7618  1
  Ba  Ba1  4  0.0740  0.5000  0.3165  1
  Ba  Ba2  4  0.1279  0.5000  0.9042  1
  Ba  Ba3  4  0.2026  0.0000  0.3433  1
  Ag  Ag4  4  0.2336  0.0000  0.7765  1
  N  N5  2  0.0000  0.5000  0.0000  1
]