data_[K14Hg6O3]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [12.7026]
_cell_length_b [12.7026]
_cell_length_c [7.3923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [K14(Hg2O)3]
_chemical_formula_sum '[K14 Hg6 O3]'
_cell_volume [1032.9784]
_cell_formula_units_Z [1]
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  3  0.0282  0.8361  0.0404  1
  K  K1  3  0.2052  0.4596  0.4934  1
  K  K2  3  0.4727  0.2041  0.3213  1
  K  K3  3  0.5087  0.3574  0.7299  1
  K  K4  1  0.0000  0.0000  0.4852  1
  K  K5  1  0.3333  0.6667  0.9287  1
  Hg  Hg6  3  0.0289  0.5486  0.1556  1
  Hg  Hg7  3  0.3480  0.0117  0.9133  1
  O  O8  1  0.0000  0.0000  0.1582  1
  O  O9  1  0.3333  0.6667  0.5975  1
  O  O10  1  0.6667  0.3333  0.5256  1
]