data_[K12Hg4Ge4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7751]
_cell_length_b [4.1942]
_cell_length_c [10.2354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3HgGe]
_chemical_formula_sum '[K12 Hg4 Ge4]'
_cell_volume [847.9072]
_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  0.0821  0.0000  0.3122  1
  K  K1  4  0.0994  0.5000  0.9431  1
  K  K2  4  0.2168  0.0000  0.6940  1
  Hg  Hg3  4  0.0619  0.5000  0.5933  1
  Ge  Ge4  4  0.2224  0.0000  0.0537  1
]