data_[Cs4Ti4Cu4Te12]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.0764]
_cell_length_b [4.1557]
_cell_length_c [16.0440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsTiCuTe3]
_chemical_formula_sum '[Cs4 Ti4 Cu4 Te12]'
_cell_volume [738.5154]
_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  0.0318  0.7500  0.3346  1
  Ti  Ti1  4  0.1554  0.2500  0.0682  1
  Cu  Cu2  4  0.1554  0.7500  0.8607  1
  Te  Te3  4  0.0233  0.2500  0.9076  1
  Te  Te4  4  0.2080  0.2500  0.4941  1
  Te  Te5  4  0.2441  0.7500  0.7131  1
]