data_[Rb4Hg4Ge4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5082]
_cell_length_b [8.0847]
_cell_length_c [8.6396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbHgGeSe3]
_chemical_formula_sum '[Rb4 Hg4 Ge4 Se12]'
_cell_volume [796.2772]
_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  0.1812  0.5000  0.2149  1.0
  Hg  Hg1  4  0.0000  0.2520  0.5000  1.0
  Ge  Ge2  4  0.0250  0.0000  0.1570  1.0
  Se  Se3  8  0.0841  0.2430  0.8177  1.0
  Se  Se4  4  0.2195  0.0000  0.3472  1.0
]