data_[K12Na4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2315]
_cell_length_b [4.8346]
_cell_length_c [10.8941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3NaHg]
_chemical_formula_sum '[K12 Na4 Hg4]'
_cell_volume [1063.8622]
_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  0.0621  0.0000  0.7254  1.0
  K  K1  4  0.1040  0.5000  0.0660  1.0
  K  K2  4  0.2481  0.0000  0.3026  1.0
  Na  Na3  4  0.0868  0.5000  0.4319  1.0
  Hg  Hg4  4  0.2160  0.0000  0.9396  1.0
]