data_[Cs3Ga6Hg3Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.1170]
_cell_length_b [7.1170]
_cell_length_c [31.2870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsGa2HgBr8]
_chemical_formula_sum '[Cs3 Ga6 Hg3 Br24]'
_cell_volume [1372.4153]
_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  0.5000  1.0
  Ga  Ga1  6  0.0000  0.0000  0.2485  1.0
  Hg  Hg2  3  0.0000  0.0000  0.0000  1.0
  Br  Br3  18  0.0035  0.3650  0.9393  1.0
  Br  Br4  6  0.0000  0.0000  0.1729  1.0
]