data_[K2Li4Sc6Te12]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4165]
_cell_length_b [4.2286]
_cell_length_c [8.9247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KLi2(ScTe2)3]
_chemical_formula_sum '[K2 Li4 Sc6 Te12]'
_cell_volume [697.4499]
_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  0.0000  0.5000  0.0000  1.0
  Li  Li1  4  0.1765  0.0000  0.3457  1.0
  Sc  Sc2  4  0.1667  0.0000  0.8303  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  4  0.0068  0.0000  0.7244  1.0
  Te  Te5  4  0.1626  0.5000  0.5895  1.0
  Te  Te6  4  0.1769  0.5000  0.0738  1.0
]