data_[K4Hg8Ge4Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [10.5249]
_cell_length_b [10.5796]
_cell_length_c [8.6545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [KHg2GeSe4]
_chemical_formula_sum '[K4 Hg8 Ge4 Se16]'
_cell_volume [963.6773]
_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  0.9984  1
  Hg  Hg1  8  0.2500  0.2500  0.2565  1
  Ge  Ge2  4  0.0000  0.0000  0.4986  1
  Se  Se3  8  0.0000  0.1883  0.6537  1
  Se  Se4  8  0.1896  0.0000  0.3414  1
]