data_[Cs2Ti2Fe2Te6]
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
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.9849]
_cell_length_b [3.8971]
_cell_length_c [10.5458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTiFeTe3]
_chemical_formula_sum '[Cs2 Ti2 Fe2 Te6]'
_cell_volume [369.9934]
_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  2  0.0044  0.2500  0.7599  1
  Ti  Ti1  2  0.4708  0.2500  0.6761  1
  Fe  Fe2  2  0.4850  0.7500  0.9103  1
  Te  Te3  2  0.2669  0.7500  0.6554  1
  Te  Te4  2  0.3212  0.7500  0.0502  1
  Te  Te5  2  0.3503  0.2500  0.3749  1
]