data_[Na9Tl6Pb3Br24]
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 [R3m]
_cell_length_a [9.1158]
_cell_length_b [9.1158]
_cell_length_c [21.7233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Na3Tl2PbBr8]
_chemical_formula_sum '[Na9 Tl6 Pb3 Br24]'
_cell_volume [1563.3068]
_cell_formula_units_Z [3]
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  9  0.0044  0.5022  0.9999  1.0
  Tl  Tl1  3  0.0000  0.0000  0.5039  1.0
  Tl  Tl2  3  0.0000  0.0000  0.8753  1.0
  Pb  Pb3  3  0.0000  0.0000  0.1220  1.0
  Br  Br4  9  0.0066  0.5033  0.2613  1.0
  Br  Br5  9  0.1739  0.3477  0.0749  1.0
  Br  Br6  3  0.0000  0.0000  0.2589  1.0
  Br  Br7  3  0.0000  0.0000  0.7389  1.0
]