data_[K16Hg2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.2871]
_cell_length_b [5.9428]
_cell_length_c [8.8155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K8HgSb2]
_chemical_formula_sum '[K16 Hg2 Sb4]'
_cell_volume [1036.1026]
_cell_formula_units_Z [2]
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  0.0254  0.0000  0.7616  1.0
  K  K1  4  0.1070  0.5000  0.4549  1.0
  K  K2  4  0.1748  0.5000  0.9418  1.0
  K  K3  4  0.2065  0.0000  0.3061  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb5  4  0.1774  0.0000  0.6822  1.0
]