data_[Na9Ag9Pb3Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4588]
_cell_length_b [8.4588]
_cell_length_c [20.8370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3Ag3PbBr8]
_chemical_formula_sum '[Na9 Ag9 Pb3 Br24]'
_cell_volume [1291.1787]
_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  0.0000  0.5000  0.0000  1.0
  Ag  Ag1  9  0.0000  0.5000  0.5000  1.0
  Pb  Pb2  3  0.0000  0.0000  0.5000  1.0
  Br  Br3  18  0.0074  0.5037  0.7509  1.0
  Br  Br4  6  0.0000  0.0000  0.2453  1.0
]