data_[Cs12Sb8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7898]
_cell_length_b [13.6255]
_cell_length_c [9.3819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3(SbTe2)2]
_chemical_formula_sum '[Cs12 Sb8 Te16]'
_cell_volume [1864.7137]
_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  0.1457  0.1224  0.6355  1.0
  Cs  Cs1  4  0.0000  0.3810  0.2500  1.0
  Sb  Sb2  8  0.1884  0.3708  0.8977  1.0
  Te  Te3  8  0.1223  0.1742  0.0419  1.0
  Te  Te4  8  0.1721  0.4403  0.6053  1.0
]