data_[K12Ti4Te12]
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 [9.3428]
_cell_length_b [14.3662]
_cell_length_c [8.6726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3TiTe3]
_chemical_formula_sum '[K12 Ti4 Te12]'
_cell_volume [1122.4783]
_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  0.0000  0.1697  0.5000  1
  K  K1  4  0.0000  0.2693  0.0000  1
  K  K2  4  0.1024  0.5000  0.3680  1
  Ti  Ti3  4  0.1443  0.0000  0.1362  1
  Te  Te4  8  0.2126  0.3493  0.7236  1
  Te  Te5  4  0.1307  0.0000  0.8238  1
]