data_[K8Cu4Hg4I20]
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 [Cmc2_1]
_cell_length_a [4.6141]
_cell_length_b [20.5535]
_cell_length_c [15.1248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2CuHgI5]
_chemical_formula_sum '[K8 Cu4 Hg4 I20]'
_cell_volume [1434.3622]
_cell_formula_units_Z [4]
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  0.1225  0.7105  1.0
  K  K1  4  0.0000  0.1261  0.3315  1.0
  Cu  Cu2  4  0.0000  0.4286  0.4102  1.0
  Hg  Hg3  4  0.0000  0.2085  0.0333  1.0
  I  I4  4  0.0000  0.0674  0.0031  1.0
  I  I5  4  0.0000  0.2960  0.6696  1.0
  I  I6  4  0.0000  0.3012  0.3728  1.0
  I  I7  4  0.0000  0.3487  0.0197  1.0
  I  I8  4  0.0000  0.4979  0.7733  1.0
]