data_[Cs1Ce2Hg2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7470]
_cell_length_b [8.0725]
_cell_length_c [8.1486]
_cell_angle_alpha [63.4768]
_cell_angle_beta [68.0677]
_cell_angle_gamma [63.5734]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsCe2(HgSe3)2]
_chemical_formula_sum '[Cs1 Ce2 Hg2 Se6]'
_cell_volume [398.4803]
_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
  Ce  Ce1  2  0.1741  0.1560  0.4964  1
  Hg  Hg2  2  0.1020  0.7602  0.9423  1
  Se  Se3  2  0.0264  0.4290  0.7191  1
  Se  Se4  2  0.1641  0.9670  0.2711  1
  Se  Se5  2  0.4324  0.8278  0.7323  1
]