data_[Rb4Cu8Hg4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1336]
_cell_length_b [13.7328]
_cell_length_c [6.8621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbCu2HgCl6]
_chemical_formula_sum '[Rb4 Cu8 Hg4 Cl24]'
_cell_volume [1210.5439]
_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  0.1031  0.7500  1.0
  Cu  Cu1  8  0.2071  0.4411  0.7535  1.0
  Hg  Hg2  4  0.0000  0.2895  0.2500  1.0
  Cl  Cl3  8  0.1046  0.3025  0.5777  1.0
  Cl  Cl4  8  0.1262  0.1062  0.2091  1.0
  Cl  Cl5  8  0.1652  0.4274  0.0559  1.0
]