data_[K6Ce3Hg3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.2328]
_cell_length_b [8.2328]
_cell_length_c [22.4833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2CeHgBr6]
_chemical_formula_sum '[K6 Ce3 Hg3 Br18]'
_cell_volume [1319.7222]
_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
[
  K  K0  3  0.0000  0.0000  0.0004  1.0
  K  K1  3  0.0000  0.0000  0.4780  1.0
  Ce  Ce2  3  0.0000  0.0000  0.6709  1.0
  Hg  Hg3  3  0.0000  0.0000  0.1791  1.0
  Br  Br4  9  0.0012  0.2840  0.7412  1.0
  Br  Br5  9  0.0156  0.7356  0.5954  1.0
]