data_[Cs12In8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6983]
_cell_length_b [12.5947]
_cell_length_c [9.2463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3(InTe2)2]
_chemical_formula_sum '[Cs12 In8 Te16]'
_cell_volume [1808.8581]
_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  0.1367  0.1268  0.6060  1.0
  Cs  Cs1  4  0.0000  0.3887  0.2500  1.0
  In  In2  8  0.2034  0.3815  0.9285  1.0
  Te  Te3  8  0.1172  0.1895  0.0093  1.0
  Te  Te4  8  0.1735  0.4399  0.6118  1.0
]