data_[Na4Tl8Zn4Br20]
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
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2169]
_cell_length_b [20.2971]
_cell_length_c [14.1539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl2ZnBr5]
_chemical_formula_sum '[Na4 Tl8 Zn4 Br20]'
_cell_volume [1211.4319]
_cell_formula_units_Z [4]
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  0.0000  0.2038  0.0353  1.0
  Tl  Tl1  4  0.0000  0.1314  0.3282  1.0
  Tl  Tl2  4  0.0000  0.1365  0.6776  1.0
  Zn  Zn3  4  0.0000  0.4385  0.4186  1.0
  Br  Br4  4  0.0000  0.0412  0.0147  1.0
  Br  Br5  4  0.0000  0.2962  0.6780  1.0
  Br  Br6  4  0.0000  0.3209  0.3853  1.0
  Br  Br7  4  0.0000  0.3471  0.0101  1.0
  Br  Br8  4  0.0000  0.4986  0.7761  1.0
]