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 [P1]
_cell_length_a [5.5015]
_cell_length_b [5.8064]
_cell_length_c [9.2985]
_cell_angle_alpha [86.1170]
_cell_angle_beta [73.2258]
_cell_angle_gamma [66.6873]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KHg3H]
_chemical_formula_sum '[K2 Hg6 H2]'
_cell_volume [260.8110]
_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  1  0.6351  0.2308  0.4515  1
  K  K1  1  0.7375  0.5448  0.8400  1
  Hg  Hg2  1  0.0687  0.4511  0.1631  1
  Hg  Hg3  1  0.1553  0.9052  0.6510  1
  Hg  Hg4  1  0.3817  0.8275  0.2229  1
  Hg  Hg5  1  0.4028  0.1660  0.8508  1
  Hg  Hg6  1  0.9030  0.9882  0.0282  1
  Hg  Hg7  1  0.9857  0.6138  0.4791  1
  H  H8  1  0.0755  0.2631  0.5621  1
  H  H9  1  0.5794  0.7485  0.5637  1
]