data_[Tl3Ag12Pb3Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [R3m]
_cell_length_a [8.5285]
_cell_length_b [8.5285]
_cell_length_c [21.6067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TlAg4PbBr8]
_chemical_formula_sum '[Tl3 Ag12 Pb3 Br24]'
_cell_volume [1361.0320]
_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
[
  Tl  Tl0  3  0.0000  0.0000  0.3639  1.0
  Ag  Ag1  9  0.0057  0.5029  0.4989  1.0
  Ag  Ag2  3  0.0000  0.0000  0.6362  1.0
  Pb  Pb3  3  0.0000  0.0000  0.9944  1.0
  Br  Br4  9  0.0154  0.5077  0.7591  1.0
  Br  Br5  9  0.1700  0.3400  0.5800  1.0
  Br  Br6  3  0.0000  0.0000  0.2293  1.0
  Br  Br7  3  0.0000  0.0000  0.7622  1.0
]