data_[Rb4Ce8Hg4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [I4/mcm]
_cell_length_a [8.2071]
_cell_length_b [8.2071]
_cell_length_c [15.5214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [RbCe2HgSe5]
_chemical_formula_sum '[Rb4 Ce8 Hg4 Se20]'
_cell_volume [1045.4600]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.0000  0.0000  0.2500  1.0
  Ce  Ce1  8  0.1595  0.3405  0.0000  1.0
  Hg  Hg2  4  0.0000  0.5000  0.2500  1.0
  Se  Se3  16  0.1469  0.3531  0.3824  1.0
  Se  Se4  4  0.0000  0.0000  0.0000  1.0
]