data_[Rb8Si4Hg4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2680]
_cell_length_b [10.8432]
_cell_length_c [8.9303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb2SiHgSe4]
_chemical_formula_sum '[Rb8 Si4 Hg4 Se16]'
_cell_volume [1130.1135]
_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  0.0000  1
  Rb  Rb1  4  0.2500  0.2500  0.5000  1
  Si  Si2  4  0.2500  0.2500  0.0000  1
  Hg  Hg3  4  0.0000  0.5000  0.0000  1
  Se  Se4  8  0.0854  0.2897  0.0995  1
  Se  Se5  8  0.2196  0.4236  0.8480  1
]