data_[K4Hf2Hg4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6174]
_cell_length_b [13.3394]
_cell_length_c [9.6386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Hf(HgCl3)2]
_chemical_formula_sum '[K4 Hf2 Hg4 Cl12]'
_cell_volume [927.7025]
_cell_formula_units_Z [2]
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  4  0.0000  0.3326  0.5000  1.0
  Hf  Hf1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  4  0.0000  0.2050  0.0000  1.0
  Cl  Cl3  8  0.1955  0.1313  0.6554  1.0
  Cl  Cl4  4  0.2023  0.0000  0.3445  1.0
]