data_[K4Rb12Hg4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.7395]
_cell_length_b [5.0736]
_cell_length_c [12.4478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRb3Hg]
_chemical_formula_sum '[K4 Rb12 Hg4]'
_cell_volume [1370.5920]
_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  0.0580  0.0000  0.2560  1
  K  K1  4  0.1004  0.5000  0.9401  1
  Rb  Rb2  4  0.1090  0.5000  0.5649  1
  Rb  Rb3  4  0.2440  0.5000  0.2319  1
  Hg  Hg4  4  0.2156  0.0000  0.4532  1
]