data_[K24Tl2Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [11.5025]
_cell_length_b [11.5051]
_cell_length_c [12.7796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K12TlHg5]
_chemical_formula_sum '[K24 Tl2 Hg10]'
_cell_volume [1691.2268]
_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  8  0.0000  0.1942  0.2423  1
  K  K1  8  0.2054  0.5000  0.1699  1
  K  K2  8  0.2220  0.6855  0.5000  1
  Tl  Tl3  2  0.0000  0.0000  0.5000  1
  Hg  Hg4  4  0.0000  0.3591  0.0000  1
  Hg  Hg5  4  0.0000  0.5000  0.3806  1
  Hg  Hg6  2  0.0000  0.0000  0.0000  1
]