data_[Cs12Bi6Te6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5213]
_cell_length_b [6.5213]
_cell_length_c [30.1048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2BiTeO6]
_chemical_formula_sum '[Cs12 Bi6 Te6 O36]'
_cell_volume [1108.7516]
_cell_formula_units_Z [6]
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
[
  Cs  Cs0  6  0.0000  0.0000  0.1318  1.0
  Cs  Cs1  6  0.0000  0.0000  0.2756  1.0
  Bi  Bi2  6  0.0000  0.0000  0.4011  1.0
  Te  Te3  3  -0.0000  -0.0000  0.5000  1.0
  Te  Te4  3  0.0000  0.0000  0.0000  1.0
  O  O5  18  0.0514  0.5257  0.7061  1.0
  O  O6  18  0.0630  0.5315  0.1251  1.0
]