data_[Cs2Ti2Te4]
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 [P1]
_cell_length_a [4.0061]
_cell_length_b [7.8744]
_cell_length_c [10.5927]
_cell_angle_alpha [72.6547]
_cell_angle_beta [79.3566]
_cell_angle_gamma [89.8577]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsTiTe2]
_chemical_formula_sum '[Cs2 Ti2 Te4]'
_cell_volume [312.9753]
_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  1  0.7021  0.4797  0.3745  1.0
  Cs  Cs1  1  0.8955  0.1685  0.0016  1.0
  Ti  Ti2  1  0.1002  0.9036  0.5684  1.0
  Ti  Ti3  1  0.9635  0.7347  0.8500  1.0
  Te  Te4  1  0.0510  0.5537  0.6741  1.0
  Te  Te5  1  0.3737  0.5799  0.0351  1.0
  Te  Te6  1  0.5194  0.9992  0.7340  1.0
  Te  Te7  1  0.6926  0.9680  0.3773  1.0
]