data_[Zn8Ag8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8122]
_cell_length_b [12.9460]
_cell_length_c [7.0256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ZnAgBr3]
_chemical_formula_sum '[Zn8 Ag8 Br24]'
_cell_volume [1199.1213]
_cell_formula_units_Z [8]
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
[
  Zn  Zn0  8  0.2005  0.4168  0.7797  1.0
  Ag  Ag1  4  0.0000  0.1077  0.7500  1.0
  Ag  Ag2  4  0.0000  0.2737  0.2500  1.0
  Br  Br3  8  0.1157  0.0841  0.1355  1.0
  Br  Br4  8  0.1279  0.2574  0.6135  1.0
  Br  Br5  8  0.1361  0.4289  0.0739  1.0
]