data_[K2Tl4Cd1Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  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 [4.6056]
_cell_length_b [4.6056]
_cell_length_c [15.6321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [K2Tl4CdHg3]
_chemical_formula_sum '[K2 Tl4 Cd1 Hg3]'
_cell_volume [331.5848]
_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  0.7478  1.0
  Tl  Tl1  2  0.0000  0.5000  0.3611  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  1  0.5000  0.5000  0.0000  1.0
  Cd  Cd4  1  0.5000  0.5000  0.5000  1.0
  Hg  Hg5  2  0.0000  0.5000  0.1593  1.0
  Hg  Hg6  1  0.0000  0.0000  0.5000  1.0
]