data_[K2Cd1Hg7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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-4m2]
_cell_length_a [5.1580]
_cell_length_b [5.1580]
_cell_length_c [11.9915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [K2CdHg7]
_chemical_formula_sum '[K2 Cd1 Hg7]'
_cell_volume [319.0348]
_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
[
  K  K0  2  0.0000  0.5000  0.2513  1
  Cd  Cd1  1  0.5000  0.5000  0.0000  1
  Hg  Hg2  2  0.0000  0.5000  0.6330  1
  Hg  Hg3  2  0.0000  0.5000  0.8754  1
  Hg  Hg4  1  0.0000  0.0000  0.0000  1
  Hg  Hg5  1  0.0000  0.0000  0.5000  1
  Hg  Hg6  1  0.5000  0.5000  0.5000  1
]