data_[Cs2K1Cd1Hg6]
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
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9509]
_cell_length_b [7.4372]
_cell_length_c [9.3326]
_cell_angle_alpha [79.4204]
_cell_angle_beta [72.1006]
_cell_angle_gamma [68.3981]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2KCdHg6]
_chemical_formula_sum '[Cs2 K1 Cd1 Hg6]'
_cell_volume [425.4975]
_cell_formula_units_Z [1]
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  2  0.1961  0.3468  0.2374  1.0
  K  K1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  1  0.5000  0.5000  0.5000  1.0
  Hg  Hg3  2  0.1599  0.8202  0.3660  1.0
  Hg  Hg4  2  0.3097  0.9465  0.6188  1.0
  Hg  Hg5  2  0.3590  0.2565  0.8045  1.0
]