data_[K4Hg4H4]
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 [9.3091]
_cell_length_b [5.3375]
_cell_length_c [8.4900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KHgH]
_chemical_formula_sum '[K4 Hg4 H4]'
_cell_volume [395.8389]
_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  0.0790  0.0000  0.7501  1.0
  Hg  Hg1  4  0.1661  0.5000  0.4977  1.0
  H  H2  4  0.0193  0.5000  0.0473  1.0
]