data_[K2Cd1In3Hg4]
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
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.9427]
_cell_length_b [4.9427]
_cell_length_c [12.5075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [K2CdIn3Hg4]
_chemical_formula_sum '[K2 Cd1 In3 Hg4]'
_cell_volume [305.5632]
_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  0.7523  1
  Cd  Cd1  1  0.5000  0.5000  0.5000  1
  In  In2  2  0.0000  0.5000  0.1319  1
  In  In3  1  0.0000  0.0000  0.5000  1
  Hg  Hg4  2  0.0000  0.5000  0.3635  1
  Hg  Hg5  1  0.0000  0.0000  0.0000  1
  Hg  Hg6  1  0.5000  0.5000  0.0000  1
]