data_[K12Li8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6773]
_cell_length_b [11.3958]
_cell_length_c [6.5475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K3(LiTe2)2]
_chemical_formula_sum '[K12 Li8 Te16]'
_cell_volume [1229.6210]
_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  8  0.1190  0.1141  0.0534  1
  K  K1  4  0.0000  0.4107  0.2500  1
  Li  Li2  8  0.2189  0.3629  0.3494  1
  Te  Te3  8  0.1208  0.2126  0.5630  1
  Te  Te4  8  0.1631  0.4040  0.9049  1
]