data_[Cs6Bi4Te8]
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/m]
_cell_length_a [20.2360]
_cell_length_b [5.7573]
_cell_length_c [8.3698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3(BiTe2)2]
_chemical_formula_sum '[Cs6 Bi4 Te8]'
_cell_volume [923.1885]
_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
[
  Cs  Cs0  4  0.1357  0.0000  0.5724  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  4  0.1679  0.5000  0.0107  1.0
  Te  Te3  4  0.0409  0.5000  0.7282  1.0
  Te  Te4  4  0.2071  0.0000  0.1586  1.0
]