data_[Ba12Ag4N2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8420]
_cell_length_b [8.5418]
_cell_length_c [13.8426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Ag2NCl]
_chemical_formula_sum '[Ba12 Ag4 N2 Cl2]'
_cell_volume [770.2710]
_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  0.1180  0.5305  0.2295  1.0
  Ba  Ba1  4  0.2184  0.2149  0.0550  1.0
  Ba  Ba2  4  0.3481  0.6721  0.0537  1.0
  Ag  Ag3  4  0.2898  0.5909  0.7500  1.0
  N  N4  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl5  2  0.5000  0.0000  0.0000  1.0
]