data_[K4Na1Hg3]
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 [Pmm2]
_cell_length_a [5.2074]
_cell_length_b [5.2193]
_cell_length_c [13.0389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [K4NaHg3]
_chemical_formula_sum '[K4 Na1 Hg3]'
_cell_volume [354.3869]
_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  1  0.0000  0.0000  0.1551  1.0
  K  K1  1  0.0000  0.5000  0.8420  1.0
  K  K2  1  0.5000  0.0000  0.6432  1.0
  K  K3  1  0.5000  0.5000  0.3695  1.0
  Na  Na4  1  0.5000  0.5000  0.0614  1.0
  Hg  Hg5  1  0.0000  0.0000  0.4369  1.0
  Hg  Hg6  1  0.0000  0.5000  0.5680  1.0
  Hg  Hg7  1  0.5000  0.0000  0.9239  1.0
]