data_[Cs4Ti4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3804]
_cell_length_b [13.8945]
_cell_length_c [6.5050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsTiTe2]
_chemical_formula_sum '[Cs4 Ti4 Te8]'
_cell_volume [699.1913]
_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  4  0.0000  0.3556  0.7500  1.0
  Ti  Ti1  4  0.0000  0.0018  0.2500  1.0
  Te  Te2  8  0.1970  0.1077  0.6012  1.0
]