data_[Rb4Si4Hg4Se12]
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/m]
_cell_length_a [12.8843]
_cell_length_b [7.7772]
_cell_length_c [8.1615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbSiHgSe3]
_chemical_formula_sum '[Rb4 Si4 Hg4 Se12]'
_cell_volume [780.3887]
_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  0.1744  0.5000  0.2208  1.0
  Si  Si1  4  0.0003  0.0000  0.8544  1.0
  Hg  Hg2  4  0.0000  0.2315  0.5000  1.0
  Se  Se3  8  0.0956  0.2468  0.8217  1.0
  Se  Se4  4  0.1632  0.0000  0.3460  1.0
]