data_[Na6Tl2Ag4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1022]
_cell_length_b [4.2498]
_cell_length_c [8.6159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Tl(AgBr3)2]
_chemical_formula_sum '[Na6 Tl2 Ag4 Br12]'
_cell_volume [713.2300]
_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
[
  Na  Na0  4  0.1710  0.0000  0.8199  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag3  4  0.1884  0.0000  0.3348  1.0
  Br  Br4  4  0.0223  0.0000  0.7353  1.0
  Br  Br5  4  0.1650  0.5000  0.5493  1.0
  Br  Br6  4  0.1767  0.5000  0.0981  1.0
]