data_[K5Na1Hg4]
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 [P4/mmm]
_cell_length_a [4.2676]
_cell_length_b [4.2676]
_cell_length_c [22.9084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [K5NaHg4]
_chemical_formula_sum '[K5 Na1 Hg4]'
_cell_volume [417.2116]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.1236  1.0
  K  K1  2  0.5000  0.5000  0.3089  1.0
  K  K2  1  0.5000  0.5000  0.5000  1.0
  Na  Na3  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.2153  1.0
  Hg  Hg5  2  0.0000  0.0000  0.4050  1.0
]