data_[K4Ti4Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3867]
_cell_length_b [9.1861]
_cell_length_c [6.1391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTiTe4]
_chemical_formula_sum '[K4 Ti4 Te16]'
_cell_volume [866.9565]
_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
[
  K  K0  4  0.1684  0.0000  0.2305  1.0
  Ti  Ti1  4  0.0114  0.5000  0.2710  1.0
  Te  Te2  8  0.1163  0.3086  0.5975  1.0
  Te  Te3  4  0.0000  0.2509  0.0000  1.0
  Te  Te4  4  0.1925  0.5000  0.2655  1.0
]