data_[Cs4Ce2Hg4Se8]
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 [C2/m]
_cell_length_a [17.3652]
_cell_length_b [4.2264]
_cell_length_c [8.9126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ce(HgSe2)2]
_chemical_formula_sum '[Cs4 Ce2 Hg4 Se8]'
_cell_volume [596.1256]
_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  0.1297  0.0000  0.5720  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1936  0.5000  0.0230  1.0
  Se  Se3  4  0.0236  0.5000  0.7971  1.0
  Se  Se4  4  0.1716  0.0000  0.2161  1.0
]