data_[K9Sc9Ti3Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3831]
_cell_length_b [8.3831]
_cell_length_c [25.2534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3Sc3TiTe8]
_chemical_formula_sum '[K9 Sc9 Ti3 Te24]'
_cell_volume [1536.9432]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1.0
  Sc  Sc1  9  0.0000  0.5000  0.0000  1.0
  Ti  Ti2  3  0.0000  0.0000  0.0000  1.0
  Te  Te3  18  0.0101  0.5051  0.7307  1.0
  Te  Te4  6  0.0000  0.0000  0.2671  1.0
]