data_[K4Hg12H4]
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/m]
_cell_length_a [10.5867]
_cell_length_b [5.5485]
_cell_length_c [10.1233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KHg3H]
_chemical_formula_sum '[K4 Hg12 H4]'
_cell_volume [544.8948]
_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  0.1441  0.0000  0.7062  1.0
  Hg  Hg1  4  0.0422  0.5000  0.8754  1.0
  Hg  Hg2  4  0.1079  0.5000  0.4499  1.0
  Hg  Hg3  4  0.1545  0.0000  0.0911  1.0
  H  H4  4  0.2500  0.2500  0.5000  1.0
]