data_[Rb8Hg6]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3920]
_cell_length_b [5.2790]
_cell_length_c [17.4504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb4Hg3]
_chemical_formula_sum '[Rb8 Hg6]'
_cell_volume [858.2865]
_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  0.0423  0.0000  0.1346  1.0
  Rb  Rb1  4  0.2045  0.0000  0.6208  1.0
  Hg  Hg2  4  0.1656  0.5000  1.0000  1.0
  Hg  Hg3  2  0.0000  0.5000  0.5000  1.0
]