data_[K4Li4P4S12]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2958]
_cell_length_b [7.1254]
_cell_length_c [7.2823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6831]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KLiPS3]
_chemical_formula_sum '[K4 Li4 P4 S12]'
_cell_volume [635.8940]
_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  0.1658  0.5000  0.1646  1
  Li  Li1  4  0.0000  0.1940  0.5000  1
  P  P2  4  0.0187  0.0000  0.8485  1
  S  S3  8  0.1019  0.2410  0.8041  1
  S  S4  4  0.1242  0.0000  0.3150  1
]