data_[K2Li4Sb6S12]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1944]
_cell_length_b [3.9670]
_cell_length_c [8.5274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KLi2(SbS2)3]
_chemical_formula_sum '[K2 Li4 Sb6 S12]'
_cell_volume [569.8543]
_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  0.1669  0.0000  0.2871  1.0
  Sb  Sb2  4  0.1682  0.0000  0.8309  1.0
  Sb  Sb3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0226  0.0000  0.2917  1.0
  S  S5  4  0.1683  0.5000  0.6245  1.0
  S  S6  4  0.1841  0.5000  0.1099  1.0
]