data_[K3Bi3Se6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.3500]
_cell_length_b [5.3500]
_cell_length_c [25.2131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [KBi(SeO4)2]
_chemical_formula_sum '[K3 Bi3 Se6 O24]'
_cell_volume [624.9672]
_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  3  -0.0000  0.0000  0.5000  1.0
  Bi  Bi1  3  0.0000  0.0000  0.0000  1.0
  Se  Se2  6  0.0000  0.0000  0.2535  1.0
  O  O3  18  0.0026  0.7045  0.2767  1.0
  O  O4  6  0.0000  0.0000  0.1883  1.0
]