data_[Na4Tl6Ag2Br12]
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 [19.8285]
_cell_length_b [4.4562]
_cell_length_c [9.1175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tl3AgBr6]
_chemical_formula_sum '[Na4 Tl6 Ag2 Br12]'
_cell_volume [775.9674]
_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  0.1651  0.0000  0.3313  1.0
  Tl  Tl1  4  0.1677  0.0000  0.8355  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  2  0.0000  0.5000  0.0000  1.0
  Br  Br4  4  0.0051  0.0000  0.2242  1.0
  Br  Br5  4  0.1547  0.5000  0.0990  1.0
  Br  Br6  4  0.1739  0.5000  0.5648  1.0
]