data_[K8Hg4Ge4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.5503]
_cell_length_b [8.9586]
_cell_length_c [10.7840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K2HgGeS4]
_chemical_formula_sum '[K8 Hg4 Ge4 S16]'
_cell_volume [826.0376]
_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  0.5000  1
  K  K1  4  0.2500  0.2500  0.7500  1
  Hg  Hg2  4  0.0000  0.0000  0.0000  1
  Ge  Ge3  4  0.2500  0.2500  0.2500  1
  S  S4  8  0.0000  0.0400  0.2232  1
  S  S5  8  0.2345  0.2500  0.4525  1
]