data_[Na2Tl4Ag4Br12]
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 [14.0376]
_cell_length_b [8.1009]
_cell_length_c [7.4009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTl2(AgBr3)2]
_chemical_formula_sum '[Na2 Tl4 Ag4 Br12]'
_cell_volume [750.9612]
_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  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl1  4  0.2361  0.5000  0.1525  1.0
  Ag  Ag2  4  0.0633  0.0000  0.2266  1.0
  Br  Br3  8  0.0753  0.2422  0.8264  1.0
  Br  Br4  4  0.2316  0.5000  0.5682  1.0
]