data_[K4Si4Hg8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [10.3816]
_cell_length_b [10.5194]
_cell_length_c [8.6226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [KSi(HgSe2)2]
_chemical_formula_sum '[K4 Si4 Hg8 Se16]'
_cell_volume [941.6572]
_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  0.0000  0.0054  1.0
  Si  Si1  4  0.0000  0.0000  0.5024  1.0
  Hg  Hg2  8  0.2500  0.2500  0.2338  1.0
  Se  Se3  8  0.0000  0.1847  0.3601  1.0
  Se  Se4  8  0.1860  0.0000  0.6521  1.0
]