data_[Cs4K8Rb20Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.9204]
_cell_length_b [23.6725]
_cell_length_c [24.1866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CsK2Rb5Hg]
_chemical_formula_sum '[Cs4 K8 Rb20 Hg4]'
_cell_volume [2817.2269]
_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
[
  Cs  Cs0  4  0.0000  0.4241  0.3931  1.0
  Rb  Rb1  4  0.0000  0.0402  0.5220  1.0
  K  K2  4  0.0000  0.0980  0.2947  1.0
  K  K3  4  0.0000  0.2291  0.7692  1.0
  Rb  Rb4  4  0.0000  0.2331  0.4370  1.0
  Rb  Rb5  4  0.0000  0.2831  0.0985  1.0
  Rb  Rb6  4  0.0000  0.3847  0.6100  1.0
  Rb  Rb7  4  0.0000  0.4440  0.2034  1.0
  Hg  Hg8  4  0.0000  0.1496  0.9960  1.0
]