data_[Ba4Ag4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4517]
_cell_length_b [8.3641]
_cell_length_c [12.1252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.7005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaAgCl3]
_chemical_formula_sum '[Ba4 Ag4 Cl12]'
_cell_volume [605.9185]
_cell_formula_units_Z [4]
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  0.1972  0.1263  0.7467  1.0
  Ag  Ag1  4  0.4349  0.6283  0.8872  1.0
  Cl  Cl2  4  0.1157  0.1595  0.4342  1.0
  Cl  Cl3  4  0.2668  0.6660  0.4425  1.0
  Cl  Cl4  4  0.4281  0.0723  0.2374  1.0
]