data_[K4Na12Hg28]
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 [Cmcm]
_cell_length_a [4.7858]
_cell_length_b [27.0506]
_cell_length_c [9.9699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KNa3Hg7]
_chemical_formula_sum '[K4 Na12 Hg28]'
_cell_volume [1290.6902]
_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  0.0000  0.0434  0.7500  1
  Na  Na1  8  0.0000  0.1204  0.0871  1
  Na  Na2  4  0.0000  0.2073  0.7500  1
  Hg  Hg3  8  0.0000  0.2363  0.0881  1
  Hg  Hg4  8  0.0000  0.3553  0.0956  1
  Hg  Hg5  8  0.0000  0.4548  0.5897  1
  Hg  Hg6  4  0.0000  0.3303  0.7500  1
]