data_[Ba8Ag4N2]
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 [P2_1/m]
_cell_length_a [8.0626]
_cell_length_b [8.0710]
_cell_length_c [9.3958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4Ag2N]
_chemical_formula_sum '[Ba8 Ag4 N2]'
_cell_volume [584.4837]
_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  0.4740  0.5128  0.2501  1.0
  Ba  Ba1  2  0.0752  0.7500  0.3681  1.0
  Ba  Ba2  2  0.0902  0.7500  0.9244  1.0
  Ag  Ag3  2  0.2515  0.2500  0.4388  1.0
  Ag  Ag4  2  0.2816  0.2500  0.9456  1.0
  N  N5  2  0.2634  0.7500  0.1947  1.0
]