data_[K4Rb8Hg4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5270]
_cell_length_b [18.7100]
_cell_length_c [14.0712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [KRb2HgCl5]
_chemical_formula_sum '[K4 Rb8 Hg4 Cl20]'
_cell_volume [1191.8365]
_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  0.1060  0.6906  1.0
  Rb  Rb1  4  0.0000  0.1518  0.3116  1.0
  K  K2  4  0.0000  0.2090  0.0257  1.0
  Hg  Hg3  4  0.0000  0.4799  0.4405  1.0
  Cl  Cl4  4  0.0000  0.0392  0.0368  1.0
  Cl  Cl5  4  0.0000  0.2773  0.6737  1.0
  Cl  Cl6  4  0.0000  0.3423  0.3803  1.0
  Cl  Cl7  4  0.0000  0.3801  0.9979  1.0
  Cl  Cl8  4  0.0000  0.4806  0.7668  1.0
]