data_[K1Hg2Te1O6]
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
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8052]
_cell_length_b [5.8075]
_cell_length_c [6.1417]
_cell_angle_alpha [69.1914]
_cell_angle_beta [73.2954]
_cell_angle_gamma [62.9910]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KHg2TeO6]
_chemical_formula_sum '[K1 Hg2 Te1 O6]'
_cell_volume [170.4580]
_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  1  0.7792  0.7985  0.5829  1.0
  Hg  Hg1  1  0.0285  0.9993  0.9844  1.0
  Hg  Hg2  1  0.4573  0.5157  0.4435  1.0
  Te  Te3  1  0.3415  0.3327  0.0097  1.0
  O  O4  1  0.0559  0.5912  0.1737  1.0
  O  O5  1  0.1297  0.3411  0.8030  1.0
  O  O6  1  0.2533  0.0314  0.2243  1.0
  O  O7  1  0.3737  0.6499  0.7482  1.0
  O  O8  1  0.5833  0.2908  0.2038  1.0
  O  O9  1  0.6591  0.1109  0.8418  1.0
]