data_[K8Ga8Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0715]
_cell_length_b [11.1710]
_cell_length_c [7.6990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KGaHg3]
_chemical_formula_sum '[K8 Ga8 Hg24]'
_cell_volume [1160.2068]
_cell_formula_units_Z [8]
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  0.0262  0.2500  1.0
  K  K1  4  0.0000  0.3440  0.7500  1.0
  Ga  Ga2  8  0.0986  0.3312  0.3069  1.0
  Hg  Hg3  8  0.1731  0.1606  0.6038  1.0
  Hg  Hg4  8  0.1741  0.4993  0.5931  1.0
  Hg  Hg5  8  0.1868  0.1570  0.0834  1.0
]