data_[Cs6Hg3Pb9Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.1795]
_cell_length_b [9.1795]
_cell_length_c [27.2406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cs2HgPb3Br8]
_chemical_formula_sum '[Cs6 Hg3 Pb9 Br24]'
_cell_volume [1987.8762]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.4989  1.0
  Cs  Cs1  3  0.0000  0.0000  0.8639  1.0
  Hg  Hg2  3  0.0000  0.0000  0.1425  1.0
  Pb  Pb3  9  0.0056  0.5028  0.0013  1.0
  Br  Br4  9  0.0312  0.5156  0.2690  1.0
  Br  Br5  9  0.1799  0.3599  0.0623  1.0
  Br  Br6  3  0.0000  0.0000  0.2737  1.0
  Br  Br7  3  0.0000  0.0000  0.7302  1.0
]