data_[K4Hg24H8]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.6129]
_cell_length_b [11.6871]
_cell_length_c [11.5830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K(Hg3H)2]
_chemical_formula_sum '[K4 Hg24 H8]'
_cell_volume [875.8622]
_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  0.4568  0.2500  1
  Hg  Hg1  8  0.0734  0.0636  0.8892  1
  Hg  Hg2  8  0.1325  0.2857  0.6053  1
  Hg  Hg3  8  0.1489  0.1969  0.1329  1
  H  H4  8  0.2149  0.5562  0.1003  1
]