data_[K1Al1Hg2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.3555]
_cell_length_b [8.3775]
_cell_length_c [8.3896]
_cell_angle_alpha [105.8695]
_cell_angle_beta [111.0816]
_cell_angle_gamma [110.8916]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KAl(HgI2)2]
_chemical_formula_sum '[K1 Al1 Hg2 I4]'
_cell_volume [454.3309]
_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  1  0.5016  0.4853  0.9881  1.0
  Al  Al1  1  0.9998  0.7354  0.7353  1.0
  Hg  Hg2  1  0.5012  0.9905  0.4881  1.0
  Hg  Hg3  1  0.9982  0.2349  0.2344  1.0
  I  I4  1  0.0314  0.4506  0.7689  1.0
  I  I5  1  0.3166  0.0472  0.0169  1.0
  I  I6  1  0.6821  0.7038  0.7348  1.0
  I  I7  1  0.9691  0.7394  0.4206  1.0
]