data_[Rb6Ce6Hg2Se16]
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 [C2/m]
_cell_length_a [14.3501]
_cell_length_b [8.9306]
_cell_length_c [9.2321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Ce3HgSe8]
_chemical_formula_sum '[Rb6 Ce6 Hg2 Se16]'
_cell_volume [1025.0233]
_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
[
  Rb  Rb0  4  0.2500  0.2500  0.0000  1.0
  Rb  Rb1  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce2  4  0.2500  0.2500  0.5000  1.0
  Ce  Ce3  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.5000  1.0
  Se  Se5  8  0.0260  0.2814  0.2935  1.0
  Se  Se6  4  0.2094  0.0000  0.6793  1.0
  Se  Se7  4  0.2347  0.5000  0.6978  1.0
]