data_[K8Hg4Sb8]
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 [12.2770]
_cell_length_b [5.3715]
_cell_length_c [12.2786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2HgSb2]
_chemical_formula_sum '[K8 Hg4 Sb8]'
_cell_volume [702.9515]
_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  0.0794  0.0000  0.8923  1.0
  K  K1  4  0.1810  0.5000  0.6825  1.0
  Hg  Hg2  4  0.1302  0.5000  0.3489  1.0
  Sb  Sb3  4  0.0899  0.0000  0.4533  1.0
  Sb  Sb4  4  0.1236  0.5000  0.1077  1.0
]