data_[K4Sn2Hg2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  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 [15.4648]
_cell_length_b [4.8498]
_cell_length_c [9.8468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2SnHgI4]
_chemical_formula_sum '[K4 Sn2 Hg2 I8]'
_cell_volume [696.2520]
_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  0.2053  0.0000  0.7123  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  I  I3  4  0.1197  0.5000  0.9269  1.0
  I  I4  4  0.1399  0.0000  0.3211  1.0
]