data_[Na4Tl8Pb4Br20]
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
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5154]
_cell_length_b [19.0855]
_cell_length_c [15.0108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl2PbBr5]
_chemical_formula_sum '[Na4 Tl8 Pb4 Br20]'
_cell_volume [1293.6119]
_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  0.4571  0.4490  1
  Tl  Tl1  4  0.0000  0.0861  0.6579  1
  Tl  Tl2  4  0.0000  0.1286  0.2995  1
  Pb  Pb3  4  0.0000  0.2245  0.0294  1
  Br  Br4  4  0.0000  0.0684  0.0599  1
  Br  Br5  4  0.0000  0.2672  0.6723  1
  Br  Br6  4  0.0000  0.3018  0.3965  1
  Br  Br7  4  0.0000  0.3832  0.9891  1
  Br  Br8  4  0.0000  0.4977  0.7704  1
]