data_[Cs1Ce2Hg2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6538]
_cell_length_b [7.6715]
_cell_length_c [7.9002]
_cell_angle_alpha [62.8800]
_cell_angle_beta [67.0669]
_cell_angle_gamma [63.1525]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsCe2(HgS3)2]
_chemical_formula_sum '[Cs1 Ce2 Hg2 S6]'
_cell_volume [358.3672]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1.0
  Ce  Ce1  2  0.1585  0.1636  0.4840  1.0
  Hg  Hg2  2  0.1791  0.7293  0.9894  1.0
  S  S3  2  0.0402  0.4170  0.7264  1.0
  S  S4  2  0.1424  0.9775  0.2735  1.0
  S  S5  2  0.4308  0.8389  0.7169  1.0
]