data_[Rb4Hg4Bi2Se8]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5522]
_cell_length_b [4.4121]
_cell_length_c [8.2179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Hg2BiSe4]
_chemical_formula_sum '[Rb4 Hg4 Bi2 Se8]'
_cell_volume [590.8068]
_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  0.1365  0.0000  0.5497  1.0
  Hg  Hg1  4  0.1674  0.5000  0.9340  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0037  0.5000  0.7573  1.0
  Se  Se4  4  0.1983  0.0000  0.1690  1.0
]