data_[K8Sn4Hg4Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6539]
_cell_length_b [12.6263]
_cell_length_c [8.2602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2SnHgSe4]
_chemical_formula_sum '[K8 Sn4 Hg4 Se16]'
_cell_volume [943.8947]
_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  0.5000  0.0000  1
  K  K1  4  0.2500  0.2500  0.5000  1
  Sn  Sn2  4  0.0000  0.0000  0.0000  1
  Hg  Hg3  4  0.2500  0.2500  0.0000  1
  Se  Se4  8  0.0281  0.2227  0.0041  1
  Se  Se5  8  0.2067  0.0014  0.4444  1
]