data_[K2Ti2Cd2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7761]
_cell_length_b [4.1939]
_cell_length_c [11.1794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTiCdTe3]
_chemical_formula_sum '[K2 Ti2 Cd2 Te6]'
_cell_volume [383.9734]
_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
[
  K  K0  2  0.2617  0.2500  0.7149  1
  Ti  Ti1  2  0.1513  0.7500  0.1146  1
  Cd  Cd2  2  0.4212  0.2500  0.3817  1
  Te  Te3  2  0.0495  0.7500  0.8560  1
  Te  Te4  2  0.2358  0.7500  0.4376  1
  Te  Te5  2  0.3834  0.2500  0.1237  1
]