data_[Cs12Bi8Te16]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.3708]
_cell_length_b [10.5324]
_cell_length_c [10.2961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3(BiTe2)2]
_chemical_formula_sum '[Cs12 Bi8 Te16]'
_cell_volume [1990.2570]
_cell_formula_units_Z [4]
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  8  0.1298  0.1058  0.3766  1
  Cs  Cs1  4  0.0000  0.4761  0.7500  1
  Bi  Bi2  8  0.1951  0.3579  0.0471  1
  Te  Te3  8  0.0602  0.2258  0.0170  1
  Te  Te4  8  0.2090  0.4517  0.3410  1
]