data_[K2Cd4Sn1Hg3]
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
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.1272]
_cell_length_b [5.1272]
_cell_length_c [11.9662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [K2Cd4SnHg3]
_chemical_formula_sum '[K2 Cd4 Sn1 Hg3]'
_cell_volume [314.5710]
_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  0.7446  1.0
  Cd  Cd1  2  0.0000  0.5000  0.3734  1.0
  Cd  Cd2  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  1  0.5000  0.5000  0.0000  1.0
  Sn  Sn4  1  0.5000  0.5000  0.5000  1.0
  Hg  Hg5  2  0.0000  0.5000  0.1318  1.0
  Hg  Hg6  1  0.0000  0.0000  0.5000  1.0
]