data_[K4Cu4Hg2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9270]
_cell_length_b [8.2193]
_cell_length_c [8.2019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cu2HgI6]
_chemical_formula_sum '[K4 Cu4 Hg2 I12]'
_cell_volume [864.1826]
_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  0.2419  0.5000  0.2165  1.0
  Cu  Cu1  4  0.0455  0.0000  0.1974  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  I  I3  8  0.0595  0.2504  0.8090  1.0
  I  I4  4  0.2414  0.0000  0.3414  1.0
]