data_[Cs14K6Hg2]
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 [Cm]
_cell_length_a [16.2222]
_cell_length_b [12.4246]
_cell_length_c [11.5602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cs7K3Hg]
_chemical_formula_sum '[Cs14 K6 Hg2]'
_cell_volume [2089.0214]
_cell_formula_units_Z [2]
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  0.0799  0.3011  0.1783  1
  Cs  Cs1  4  0.3505  0.3118  0.7491  1
  Cs  Cs2  2  0.2256  0.0000  0.9411  1
  Cs  Cs3  2  0.2763  0.0000  0.4011  1
  Cs  Cs4  2  0.3448  0.5000  0.1599  1
  K  K5  4  0.0337  0.1888  0.5368  1
  K  K6  2  0.0693  0.5000  0.7742  1
  Hg  Hg7  2  0.0307  0.0000  0.0453  1
]