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 [19.7529]
_cell_length_b [4.2360]
_cell_length_c [10.2057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3HgGe]
_chemical_formula_sum '[K12 Hg4 Ge4]'
_cell_volume [852.3215]
_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  0.0835  0.5000  0.8121  1.0
  K  K1  4  0.0987  0.0000  0.4438  1.0
  K  K2  4  0.2186  0.5000  0.1959  1.0
  Hg  Hg3  4  0.0602  0.0000  0.0932  1.0
  Ge  Ge4  4  0.2243  0.5000  0.5529  1.0
]