data_[Tl3Zn12Ag9Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [R32]
_cell_length_a [14.7882]
_cell_length_b [14.7882]
_cell_length_c [10.9222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [TlZn4(AgBr4)3]
_chemical_formula_sum '[Tl3 Zn12 Ag9 Br36]'
_cell_volume [2068.5780]
_cell_formula_units_Z [3]
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
[
  Tl  Tl0  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  9  0.0000  0.4382  0.5000  1.0
  Zn  Zn2  3  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  9  0.0000  0.5540  0.0000  1.0
  Br  Br4  18  0.0516  0.2220  0.1683  1.0
  Br  Br5  9  0.0000  0.5974  0.5000  1.0
  Br  Br6  9  0.0000  0.8408  0.5000  1.0
]