data_[K2Hg6H2]
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 [P-1]
_cell_length_a [5.5095]
_cell_length_b [6.0886]
_cell_length_c [9.3050]
_cell_angle_alpha [74.2037]
_cell_angle_beta [73.7203]
_cell_angle_gamma [65.7445]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KHg3H]
_chemical_formula_sum '[K2 Hg6 H2]'
_cell_volume [268.7392]
_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  2  0.0012  0.7669  0.2495  1.0
  Hg  Hg1  2  0.2814  0.5775  0.8786  1.0
  Hg  Hg2  2  0.3216  0.0947  0.3487  1.0
  Hg  Hg3  1  0.5000  0.0000  0.0000  1.0
  Hg  Hg4  1  0.5000  0.5000  0.5000  1.0
  H  H5  2  0.1637  0.5657  0.5274  1.0
]