data_[Cs12Ti4Te12]
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 [P2_1/c]
_cell_length_a [10.4099]
_cell_length_b [9.1773]
_cell_length_c [15.0129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs3TiTe3]
_chemical_formula_sum '[Cs12 Ti4 Te12]'
_cell_volume [1411.7082]
_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  0.0905  0.6521  0.6312  1
  Cs  Cs1  4  0.3003  0.2256  0.2839  1
  Cs  Cs2  4  0.3975  0.7336  0.4181  1
  Ti  Ti3  4  0.1578  0.0717  0.5405  1
  Te  Te4  4  0.0603  0.5662  0.8818  1
  Te  Te5  4  0.2414  0.1559  0.0170  1
  Te  Te6  4  0.3590  0.5643  0.1436  1
]