data_[K12Th9Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.8287]
_cell_length_b [8.8287]
_cell_length_c [24.6383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K4Th3Se8]
_chemical_formula_sum '[K12 Th9 Se24]'
_cell_volume [1663.1489]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3584  1
  K  K1  3  -0.0000  -0.0000  0.5000  1
  K  K2  3  0.0000  0.0000  0.0000  1
  Th  Th3  9  0.0000  0.5000  0.5000  1
  Se  Se4  18  0.0302  0.5151  0.7682  1
  Se  Se5  6  0.0000  0.0000  0.2291  1
]