data_[Cs4K4Hg56]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [11.5851]
_cell_length_b [13.6844]
_cell_length_c [13.3208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsKHg14]
_chemical_formula_sum '[Cs4 K4 Hg56]'
_cell_volume [2111.8051]
_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  0.2500  0.2500  0.2500  1
  K  K1  4  0.0000  0.2500  0.8487  1
  Hg  Hg2  16  0.1372  0.0249  0.8047  1
  Hg  Hg3  16  0.2424  0.1248  0.5098  1
  Hg  Hg4  8  0.0000  0.1168  0.3776  1
  Hg  Hg5  8  0.0000  0.1270  0.6147  1
  Hg  Hg6  8  0.0000  0.1343  0.0779  1
]