data_[Cs4Ce2Hg4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [C2/m]
_cell_length_a [15.9032]
_cell_length_b [9.8195]
_cell_length_c [8.4643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ce(HgBr3)2]
_chemical_formula_sum '[Cs4 Ce2 Hg4 Br12]'
_cell_volume [1147.5122]
_cell_formula_units_Z [2]
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  4  0.2317  0.0000  0.6605  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  4  0.0582  0.0000  0.8856  1.0
  Br  Br3  8  0.0832  0.2975  0.3791  1.0
  Br  Br4  4  0.1709  0.5000  0.8403  1.0
]