data_[K2Sn2Hg2I12]
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]
_cell_length_a [8.2995]
_cell_length_b [15.1145]
_cell_length_c [8.0457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KSnHgI6]
_chemical_formula_sum '[K2 Sn2 Hg2 I12]'
_cell_volume [981.7542]
_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  2  0.0000  0.6672  0.0000  1.0
  Sn  Sn1  2  0.0000  0.2811  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0210  0.5000  1.0
  I  I3  4  0.1876  0.1608  0.2469  1.0
  I  I4  4  0.1929  0.4966  0.3210  1.0
  I  I5  4  0.2441  0.3538  0.8297  1.0
]