data_[K4Ag4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7855]
_cell_length_b [4.7970]
_cell_length_c [6.5647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KAgHg]
_chemical_formula_sum '[K4 Ag4 Hg4]'
_cell_volume [382.7212]
_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  0.1070  0.0000  0.7967  1
  Ag  Ag1  4  0.2192  0.0000  0.3801  1
  Hg  Hg2  4  0.0981  0.5000  0.2009  1
]