data_[K12Hg4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8227]
_cell_length_b [13.5525]
_cell_length_c [7.8142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Hg]
_chemical_formula_sum '[K12 Hg4]'
_cell_volume [929.6670]
_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  8  0.1454  0.3247  0.7676  1.0
  K  K1  4  0.2024  0.0000  0.6787  1.0
  Hg  Hg2  4  0.0000  0.1121  0.0000  1.0
]