data_[Tl9In9Pb3Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  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 [9.4894]
_cell_length_b [9.4894]
_cell_length_c [23.3721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl3In3PbBr8]
_chemical_formula_sum '[Tl9 In9 Pb3 Br24]'
_cell_volume [1822.6784]
_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  9  0.0000  0.5000  0.5000  1.0
  In  In1  9  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  3  0.0000  0.0000  0.0000  1.0
  Br  Br3  18  0.0257  0.5129  0.7427  1.0
  Br  Br4  6  0.0000  0.0000  0.2510  1.0
]